2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide

C32H46N4O3 — CID 70060885

IUPAC2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide
SMILESCC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C32H46N4O3/c1-24(2)21-29(33)31(37)34-30(32(38)36-19-15-27(16-20-36)35-17-7-4-8-18-35)22-25-11-13-28(14-12-25)39-23-26-9-5-3-6-10-26/h3,5-6,9-14,24,27,29-30H,4,7-8,15-23,33H2,1-2H3,(H,34,37)
InChIKeyRSQQNLGWFBHNDA-UHFFFAOYSA-N
MW534.75 g/mol
LogP4.14
Rot. Bonds11

About 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide

2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide (PubChem CID 70060885) has the molecular formula C32H46N4O3 and a molecular weight of 534.75 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide
PubChem CID70060885
Molecular FormulaC32H46N4O3
Molecular Weight534.75 g/mol
Exact Mass534.36
IUPAC Name2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide
SMILESCC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C32H46N4O3/c1-24(2)21-29(33)31(37)34-30(32(38)36-19-15-27(16-20-36)35-17-7-4-8-18-35)22-25-11-13-28(14-12-25)39-23-26-9-5-3-6-10-26/h3,5-6,9-14,24,27,29-30H,4,7-8,15-23,33H2,1-2H3,(H,34,37)
InChIKeyRSQQNLGWFBHNDA-UHFFFAOYSA-N
XLogP4.14
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.75
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 70059723
N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]amino]pentan-2-yl]azepane-1-carboxamide
CID 70059494
(2S)-4-methyl-2-(oxan-4-ylamino)-N-[(2R)-1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 57270353
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]pentanamide
CID 70058887
2-[cyclohexylmethyl(methyl)amino]-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 54176752
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 67578288
2-amino-4-methyl-N-[1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanamide
CID 70061011
2-[cyclohexyl(methyl)amino]-4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanamide
CID 73198092
4-methyl-2-[methyl(3-methylbutyl)amino]-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 54398129
tert-butyl (2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 57152503
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
N-[1-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
CID 70064708

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide (CID 70060885) is 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide is CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide?
The InChIKey is RSQQNLGWFBHNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O3/c1-24(2)21-29(33)31(37)34-30(32(38)36-19-15-27(16-20-36)35-17-7-4-8-18-35)22-25-11-13-28(14-12-25)39-23-26-9-5-3-6-10-26/h3,5-6,9-14,24,27,29-30H,4,7-8,15-23,33H2,1-2H3,(H,34,37).
What are the key properties of 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide?
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide has a molecular weight of 534.75 g/mol, XLogP of 4.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide is sourced from PubChem (CID 70060885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).