(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C22H29N5O — CID 95550020

IUPAC(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(c3cnc4ccccc4n3)CC2)C1
InChIInChI=1S/C22H29N5O/c28-22(24-17-7-8-17)16-4-3-11-27(15-16)18-9-12-26(13-10-18)21-14-23-19-5-1-2-6-20(19)25-21/h1-2,5-6,14,16-18H,3-4,7-13,15H2,(H,24,28)/t16-/m0/s1
InChIKeySSHJPTRRPGXBJO-INIZCTEOSA-N
MW379.51 g/mol
LogP2.59
Rot. Bonds4

About (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 95550020) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID95550020
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(c3cnc4ccccc4n3)CC2)C1
InChIInChI=1S/C22H29N5O/c28-22(24-17-7-8-17)16-4-3-11-27(15-16)18-9-12-26(13-10-18)21-14-23-19-5-1-2-6-20(19)25-21/h1-2,5-6,14,16-18H,3-4,7-13,15H2,(H,24,28)/t16-/m0/s1
InChIKeySSHJPTRRPGXBJO-INIZCTEOSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 26324983
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 56877941
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
N-cyclopropyl-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56861783
N-cyclopropyl-1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56867201
(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548890
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 95550020) is (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide is O=C(NC1CC1)[C@H]1CCCN(C2CCN(c3cnc4ccccc4n3)CC2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is SSHJPTRRPGXBJO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(24-17-7-8-17)16-4-3-11-27(15-16)18-9-12-26(13-10-18)21-14-23-19-5-1-2-6-20(19)25-21/h1-2,5-6,14,16-18H,3-4,7-13,15H2,(H,24,28)/t16-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95550020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).