tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate

C23H32ClN5O3 — CID 143054224

IUPACtert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(CN(Cc2ccccc2Cl)c2c(N)cc[nH]c2=O)C1
InChIInChI=1S/C23H32ClN5O3/c1-23(2,3)32-22(31)27-17-8-6-12-28(14-17)15-29(13-16-7-4-5-9-18(16)24)20-19(25)10-11-26-21(20)30/h4-5,7,9-11,17H,6,8,12-15H2,1-3H3,(H,27,31)(H3,25,26,30)
InChIKeySBWPKCFGRSROCZ-UHFFFAOYSA-N
MW461.99 g/mol
LogP3.56
Rot. Bonds6

About tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate

tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate (PubChem CID 143054224) has the molecular formula C23H32ClN5O3 and a molecular weight of 461.99 g/mol. Its IUPAC name is tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate
PubChem CID143054224
Molecular FormulaC23H32ClN5O3
Molecular Weight461.99 g/mol
Exact Mass461.22
IUPAC Nametert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(CN(Cc2ccccc2Cl)c2c(N)cc[nH]c2=O)C1
InChIInChI=1S/C23H32ClN5O3/c1-23(2,3)32-22(31)27-17-8-6-12-28(14-17)15-29(13-16-7-4-5-9-18(16)24)20-19(25)10-11-26-21(20)30/h4-5,7,9-11,17H,6,8,12-15H2,1-3H3,(H,27,31)(H3,25,26,30)
InChIKeySBWPKCFGRSROCZ-UHFFFAOYSA-N
XLogP3.56
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[[3-[5-aminopent-2-en-2-yl(methyl)amino]-3-oxoprop-1-en-2-yl]-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate
CID 143054240
ethyl 2-[(2-chlorophenyl)methyl-[2,2-dicyano-1-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethenyl]amino]acetate
CID 86625680
tert-butyl N-[(3R)-1-[3-acetyl-1-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-2-yl]piperidin-3-yl]carbamate
CID 143310361
3-[(2-chlorophenyl)methyl]-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxo-5H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 58874291
3-[(2-chlorophenyl)methyl]-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylic acid
CID 58853875
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
tert-butyl N-[(3R)-1-[4-[(2-chlorophenyl)methyl]-5-(hydrazinecarbonyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate;methyl 4-[(2-chlorophenyl)methyl]-3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-pyrazole-5-carboxylate
CID 160757220
ethane;ethyl 3-[(2-chlorophenyl)methyl]-5-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]imidazole-4-carboxylate
CID 143054247
ethyl 5-acetyl-3-[(2-chlorophenyl)methyl]-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]imidazole-4-carboxylate
CID 58874370
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[(3R)-1-[6-carbamoyl-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate
CID 58874240
methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 170906756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate (CID 143054224) is tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(CN(Cc2ccccc2Cl)c2c(N)cc[nH]c2=O)C1.
What is the InChIKey of tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate?
The InChIKey is SBWPKCFGRSROCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O3/c1-23(2,3)32-22(31)27-17-8-6-12-28(14-17)15-29(13-16-7-4-5-9-18(16)24)20-19(25)10-11-26-21(20)30/h4-5,7,9-11,17H,6,8,12-15H2,1-3H3,(H,27,31)(H3,25,26,30).
What are the key properties of tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate?
tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate has a molecular weight of 461.99 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(4-amino-2-oxo-1H-pyridin-3-yl)-[(2-chlorophenyl)methyl]amino]methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 143054224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).