(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide

C25H31N3O3 — CID 7407132

IUPAC(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
SMILESCC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C25H31N3O3/c1-17-7-6-10-21(15-17)25(31)28-13-11-22(12-14-28)27-24(30)23(26-19(3)29)16-20-9-5-4-8-18(20)2/h4-10,15,22-23H,11-14,16H2,1-3H3,(H,26,29)(H,27,30)/t23-/m1/s1
InChIKeySMHWXZMZOBKIML-HSZRJFAPSA-N
MW421.54 g/mol
LogP2.77
Rot. Bonds6

About (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide

(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide (PubChem CID 7407132) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
PubChem CID7407132
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
SMILESCC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C25H31N3O3/c1-17-7-6-10-21(15-17)25(31)28-13-11-22(12-14-28)27-24(30)23(26-19(3)29)16-20-9-5-4-8-18(20)2/h4-10,15,22-23H,11-14,16H2,1-3H3,(H,26,29)(H,27,30)/t23-/m1/s1
InChIKeySMHWXZMZOBKIML-HSZRJFAPSA-N
XLogP2.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 43816872
4-[[2-acetamido-3-(2-methoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6487353
[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108555308
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide (CID 7407132) is (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide is CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1.
What is the InChIKey of (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide?
The InChIKey is SMHWXZMZOBKIML-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17-7-6-10-21(15-17)25(31)28-13-11-22(12-14-28)27-24(30)23(26-19(3)29)16-20-9-5-4-8-18(20)2/h4-10,15,22-23H,11-14,16H2,1-3H3,(H,26,29)(H,27,30)/t23-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide?
(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide has a molecular weight of 421.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 7407132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).