ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate

C19H29N3O3 — CID 86993293

IUPACethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(C)C(=O)NCc2ccc(C)cc2)C1
InChIInChI=1S/C19H29N3O3/c1-4-25-19(24)21-17-6-5-11-22(13-17)15(3)18(23)20-12-16-9-7-14(2)8-10-16/h7-10,15,17H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCWICCUWTNGBMDM-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.21
Rot. Bonds6

About ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate

ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate (PubChem CID 86993293) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate
PubChem CID86993293
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(C)C(=O)NCc2ccc(C)cc2)C1
InChIInChI=1S/C19H29N3O3/c1-4-25-19(24)21-17-6-5-11-22(13-17)15(3)18(23)20-12-16-9-7-14(2)8-10-16/h7-10,15,17H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCWICCUWTNGBMDM-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 94154347
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119919543
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
CID 111476618
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 86993654
(2R)-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445607
(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide
CID 100625483
ethyl (3S)-1-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidine-3-carboxylate
CID 98490889
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
(2S)-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31873600
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 11931788

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate (CID 86993293) is ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(C)C(=O)NCc2ccc(C)cc2)C1.
What is the InChIKey of ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate?
The InChIKey is CWICCUWTNGBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-25-19(24)21-17-6-5-11-22(13-17)15(3)18(23)20-12-16-9-7-14(2)8-10-16/h7-10,15,17H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate?
ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 86993293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).