(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide

C21H29N3O3 — CID 95543594

IUPAC(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)c3cccc(O)c3)CC2)C1
InChIInChI=1S/C21H29N3O3/c25-19-5-1-3-15(13-19)21(27)23-11-8-18(9-12-23)24-10-2-4-16(14-24)20(26)22-17-6-7-17/h1,3,5,13,16-18,25H,2,4,6-12,14H2,(H,22,26)/t16-/m1/s1
InChIKeyYMAHUIKAJOLZDB-MRXNPFEDSA-N
MW371.48 g/mol
LogP1.99
Rot. Bonds4

About (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95543594) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95543594
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)c3cccc(O)c3)CC2)C1
InChIInChI=1S/C21H29N3O3/c25-19-5-1-3-15(13-19)21(27)23-11-8-18(9-12-23)24-10-2-4-16(14-24)20(26)22-17-6-7-17/h1,3,5,13,16-18,25H,2,4,6-12,14H2,(H,22,26)/t16-/m1/s1
InChIKeyYMAHUIKAJOLZDB-MRXNPFEDSA-N
XLogP1.99
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557954
(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95545433
N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56878546
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
N-cyclopropyl-1-[1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867464
(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 10174028
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95552645
N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867909
(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549628
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95543594) is (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)c3cccc(O)c3)CC2)C1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is YMAHUIKAJOLZDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-19-5-1-3-15(13-19)21(27)23-11-8-18(9-12-23)24-10-2-4-16(14-24)20(26)22-17-6-7-17/h1,3,5,13,16-18,25H,2,4,6-12,14H2,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95543594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).