N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide

C22H27ClN4O — CID 155518561

IUPACN-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide
SMILESO=C(N1CCC(c2ccccc2)CC1)N(c1ncccc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C22H27ClN4O/c23-20-9-5-13-25-21(20)27(19-8-4-12-24-16-19)22(28)26-14-10-18(11-15-26)17-6-2-1-3-7-17/h1-3,5-7,9,13,18-19,24H,4,8,10-12,14-16H2/t19-/m1/s1
InChIKeyFHCHQKOUBAJEKD-LJQANCHMSA-N
MW398.94 g/mol
LogP4.29
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide

N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide (PubChem CID 155518561) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide
PubChem CID155518561
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide
SMILESO=C(N1CCC(c2ccccc2)CC1)N(c1ncccc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C22H27ClN4O/c23-20-9-5-13-25-21(20)27(19-8-4-12-24-16-19)22(28)26-14-10-18(11-15-26)17-6-2-1-3-7-17/h1-3,5-7,9,13,18-19,24H,4,8,10-12,14-16H2/t19-/m1/s1
InChIKeyFHCHQKOUBAJEKD-LJQANCHMSA-N
XLogP4.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide (CID 155518561) is N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide is O=C(N1CCC(c2ccccc2)CC1)N(c1ncccc1Cl)[C@@H]1CCCNC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide?
The InChIKey is FHCHQKOUBAJEKD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27ClN4O/c23-20-9-5-13-25-21(20)27(19-8-4-12-24-16-19)22(28)26-14-10-18(11-15-26)17-6-2-1-3-7-17/h1-3,5-7,9,13,18-19,24H,4,8,10-12,14-16H2/t19-/m1/s1.
What are the key properties of N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide?
N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide has a molecular weight of 398.94 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4-phenyl-N-[(3R)-piperidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 155518561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).