(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C16H23ClN4O2 — CID 97453908

IUPAC(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1Cl)N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C16H23ClN4O2/c17-15-14(5-3-6-18-15)19-16(22)21-7-2-1-4-13(21)12-20-8-10-23-11-9-20/h3,5-6,13H,1-2,4,7-12H2,(H,19,22)/t13-/m0/s1
InChIKeyUBKJYOJYZLPLHF-ZDUSSCGKSA-N
MW338.84 g/mol
LogP2.45
Rot. Bonds3

About (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 97453908) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID97453908
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccnc1Cl)N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C16H23ClN4O2/c17-15-14(5-3-6-18-15)19-16(22)21-7-2-1-4-13(21)12-20-8-10-23-11-9-20/h3,5-6,13H,1-2,4,7-12H2,(H,19,22)/t13-/m0/s1
InChIKeyUBKJYOJYZLPLHF-ZDUSSCGKSA-N
XLogP2.45
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(morpholin-4-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56795491
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
(2R)-N-(3-chloro-5-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97057326
(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126454885
2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 74244699
N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide
CID 131900520
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
CID 47850387
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
(3S)-N-(2-fluorophenyl)-3-(morpholin-4-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 97105395
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136523972

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 97453908) is (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide is O=C(Nc1cccnc1Cl)N1CCCC[C@H]1CN1CCOCC1.
What is the InChIKey of (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is UBKJYOJYZLPLHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c17-15-14(5-3-6-18-15)19-16(22)21-7-2-1-4-13(21)12-20-8-10-23-11-9-20/h3,5-6,13H,1-2,4,7-12H2,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97453908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).