(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide

C18H20ClN3O2 — CID 119846962

IUPAC(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C18H20ClN3O2/c19-15-10-14(22-18(23)16-5-1-2-9-21-16)6-7-17(15)24-12-13-4-3-8-20-11-13/h3-4,6-8,10-11,16,21H,1-2,5,9,12H2,(H,22,23)/t16-/m1/s1
InChIKeyMFHUZFWPINOBCY-MRXNPFEDSA-N
MW345.83 g/mol
LogP3.39
Rot. Bonds5

About (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide

(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide (PubChem CID 119846962) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide
PubChem CID119846962
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C18H20ClN3O2/c19-15-10-14(22-18(23)16-5-1-2-9-21-16)6-7-17(15)24-12-13-4-3-8-20-11-13/h3-4,6-8,10-11,16,21H,1-2,5,9,12H2,(H,22,23)/t16-/m1/s1
InChIKeyMFHUZFWPINOBCY-MRXNPFEDSA-N
XLogP3.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119847003
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide
CID 124605952
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide (CID 119846962) is (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is MFHUZFWPINOBCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-10-14(22-18(23)16-5-1-2-9-21-16)6-7-17(15)24-12-13-4-3-8-20-11-13/h3-4,6-8,10-11,16,21H,1-2,5,9,12H2,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide?
(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119846962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).