tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate

C24H31N3O4 — CID 66757137

IUPACtert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate
SMILESCC1(NC(=O)OCc2ccccc2)CCN(c2ccc(C(=O)OC(C)(C)C)cn2)CC1
InChIInChI=1S/C24H31N3O4/c1-23(2,3)31-21(28)19-10-11-20(25-16-19)27-14-12-24(4,13-15-27)26-22(29)30-17-18-8-6-5-7-9-18/h5-11,16H,12-15,17H2,1-4H3,(H,26,29)
InChIKeyRPVGPKFOORAQKI-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.32
Rot. Bonds5

About tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate

tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 66757137) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID66757137
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Nametert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate
SMILESCC1(NC(=O)OCc2ccccc2)CCN(c2ccc(C(=O)OC(C)(C)C)cn2)CC1
InChIInChI=1S/C24H31N3O4/c1-23(2,3)31-21(28)19-10-11-20(25-16-19)27-14-12-24(4,13-15-27)26-22(29)30-17-18-8-6-5-7-9-18/h5-11,16H,12-15,17H2,1-4H3,(H,26,29)
InChIKeyRPVGPKFOORAQKI-UHFFFAOYSA-N
XLogP4.32
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[1-(2-aminophenyl)-4-methylpiperidin-4-yl]carbamate
CID 68551535
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
tert-butyl 6-[4-(ethoxymethyl)-4-(formylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 175638440
tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
CID 19694924
tert-butyl 5-[1-(phenylmethoxycarbonylaminomethyl)cyclohexyl]-1H-pyrrole-3-carboxylate
CID 90806243
benzyl N-[3-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]azetidin-3-yl]carbamate
CID 176914553
4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
CID 165466082
tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134434726
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
tert-butyl N-[2-[[6-(4-benzylpiperazin-1-yl)pyridine-3-carbonyl]amino]phenyl]carbamate;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl]carbamate
CID 158182406

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate (CID 66757137) is tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate is CC1(NC(=O)OCc2ccccc2)CCN(c2ccc(C(=O)OC(C)(C)C)cn2)CC1.
What is the InChIKey of tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is RPVGPKFOORAQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-23(2,3)31-21(28)19-10-11-20(25-16-19)27-14-12-24(4,13-15-27)26-22(29)30-17-18-8-6-5-7-9-18/h5-11,16H,12-15,17H2,1-4H3,(H,26,29).
What are the key properties of tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate?
tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 66757137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).