(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide

C22H31N3O3 — CID 95552645

IUPAC(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)Cc3ccc(O)cc3)CC2)C1
InChIInChI=1S/C22H31N3O3/c26-20-7-3-16(4-8-20)14-21(27)24-12-9-19(10-13-24)25-11-1-2-17(15-25)22(28)23-18-5-6-18/h3-4,7-8,17-19,26H,1-2,5-6,9-15H2,(H,23,28)/t17-/m0/s1
InChIKeyQXKUBZPXMXXAKJ-KRWDZBQOSA-N
MW385.51 g/mol
LogP1.92
Rot. Bonds5

About (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95552645) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95552645
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)Cc3ccc(O)cc3)CC2)C1
InChIInChI=1S/C22H31N3O3/c26-20-7-3-16(4-8-20)14-21(27)24-12-9-19(10-13-24)25-11-1-2-17(15-25)22(28)23-18-5-6-18/h3-4,7-8,17-19,26H,1-2,5-6,9-15H2,(H,23,28)/t17-/m0/s1
InChIKeyQXKUBZPXMXXAKJ-KRWDZBQOSA-N
XLogP1.92
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45233968
N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 74229943
N-cyclopropyl-1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56879299
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (CID 95552645) is (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)Cc3ccc(O)cc3)CC2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is QXKUBZPXMXXAKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-20-7-3-16(4-8-20)14-21(27)24-12-9-19(10-13-24)25-11-1-2-17(15-25)22(28)23-18-5-6-18/h3-4,7-8,17-19,26H,1-2,5-6,9-15H2,(H,23,28)/t17-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[1-[2-(4-hydroxyphenyl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95552645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).