(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide

C19H22ClN3O2 — CID 120634640

IUPAC(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1
InChIInChI=1S/C19H22ClN3O2/c1-13-10-14(7-9-21-13)19(24)23-15-5-6-18(17(20)11-15)25-12-16-4-2-3-8-22-16/h2-6,8,11,13-14,21H,7,9-10,12H2,1H3,(H,23,24)/t13-,14-/m0/s1
InChIKeyCIPTZPCGVUYJCB-KBPBESRZSA-N
MW359.86 g/mol
LogP3.64
Rot. Bonds5

About (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120634640) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120634640
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1
InChIInChI=1S/C19H22ClN3O2/c1-13-10-14(7-9-21-13)19(24)23-15-5-6-18(17(20)11-15)25-12-16-4-2-3-8-22-16/h2-6,8,11,13-14,21H,7,9-10,12H2,1H3,(H,23,24)/t13-,14-/m0/s1
InChIKeyCIPTZPCGVUYJCB-KBPBESRZSA-N
XLogP3.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-2-carboxamide
CID 11518265
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119867098
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
CID 11554402
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-methyl-1-[(1S,2R)-2-methylcyclohexyl]urea
CID 97023380
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
CID 106740789
(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619213
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
CID 60601007

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide (CID 120634640) is (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1.
What is the InChIKey of (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is CIPTZPCGVUYJCB-KBPBESRZSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-10-14(7-9-21-13)19(24)23-15-5-6-18(17(20)11-15)25-12-16-4-2-3-8-22-16/h2-6,8,11,13-14,21H,7,9-10,12H2,1H3,(H,23,24)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120634640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).