N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide

C27H29N3O3 — CID 124940388

IUPACN-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2)cc1
InChIInChI=1S/C27H29N3O3/c1-18-15-23(20-8-12-25(33-3)13-9-20)16-26(28-18)22-5-4-14-30(17-22)27(32)21-6-10-24(11-7-21)29-19(2)31/h6-13,15-16,22H,4-5,14,17H2,1-3H3,(H,29,31)/t22-/m1/s1
InChIKeyAFVZDMYBDYHHOV-JOCHJYFZSA-N
MW443.55 g/mol
LogP5.04
Rot. Bonds5

About N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide

N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 124940388) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
PubChem CID124940388
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2)cc1
InChIInChI=1S/C27H29N3O3/c1-18-15-23(20-8-12-25(33-3)13-9-20)16-26(28-18)22-5-4-14-30(17-22)27(32)21-6-10-24(11-7-21)29-19(2)31/h6-13,15-16,22H,4-5,14,17H2,1-3H3,(H,29,31)/t22-/m1/s1
InChIKeyAFVZDMYBDYHHOV-JOCHJYFZSA-N
XLogP5.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
N-[4-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 110253883
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 110091936
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
5-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 124974066
5-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088505
5-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088506

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide (CID 124940388) is N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide is COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2)cc1.
What is the InChIKey of N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is AFVZDMYBDYHHOV-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-18-15-23(20-8-12-25(33-3)13-9-20)16-26(28-18)22-5-4-14-30(17-22)27(32)21-6-10-24(11-7-21)29-19(2)31/h6-13,15-16,22H,4-5,14,17H2,1-3H3,(H,29,31)/t22-/m1/s1.
What are the key properties of N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide?
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 124940388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).