N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide

C25H33N3O3 — CID 22134907

IUPACN-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(C(=O)NC(CNC(=O)C2CCN(C(C)C)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H33N3O3/c1-18(2)28-15-13-21(14-16-28)24(29)26-17-23(19-7-5-4-6-8-19)27-25(30)20-9-11-22(31-3)12-10-20/h4-12,18,21,23H,13-17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyNBSWEOHDMISQRY-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.40
Rot. Bonds8

About N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 22134907) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID22134907
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(C(=O)NC(CNC(=O)C2CCN(C(C)C)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H33N3O3/c1-18(2)28-15-13-21(14-16-28)24(29)26-17-23(19-7-5-4-6-8-19)27-25(30)20-9-11-22(31-3)12-10-20/h4-12,18,21,23H,13-17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyNBSWEOHDMISQRY-UHFFFAOYSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylethyl]benzamide
CID 54166199
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 112789908
4-methoxy-N-[(1S)-1-phenylbut-3-ynyl]benzamide
CID 97063453
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214914
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 10139436
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 22134907) is N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide is COc1ccc(C(=O)NC(CNC(=O)C2CCN(C(C)C)CC2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is NBSWEOHDMISQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(2)28-15-13-21(14-16-28)24(29)26-17-23(19-7-5-4-6-8-19)27-25(30)20-9-11-22(31-3)12-10-20/h4-12,18,21,23H,13-17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxybenzoyl)amino]-2-phenylethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 22134907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).