(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride

C19H30ClN3O2 — CID 120633725

IUPAC(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(CCN3CCOCC3)cc2)CCN1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-15-14-17(6-8-20-15)19(23)21-18-4-2-16(3-5-18)7-9-22-10-12-24-13-11-22;/h2-5,15,17,20H,6-14H2,1H3,(H,21,23);1H/t15-,17-;/m0./s1
InChIKeyMBCKXLKBQJPART-NBLXOJGSSA-N
MW367.92 g/mol
LogP2.31
Rot. Bonds5

About (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120633725) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120633725
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(CCN3CCOCC3)cc2)CCN1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-15-14-17(6-8-20-15)19(23)21-18-4-2-16(3-5-18)7-9-22-10-12-24-13-11-22;/h2-5,15,17,20H,6-14H2,1H3,(H,21,23);1H/t15-,17-;/m0./s1
InChIKeyMBCKXLKBQJPART-NBLXOJGSSA-N
XLogP2.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120645418
(2R)-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-2-carboxamide
CID 119860916
(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120636884
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
(2S,4S)-2-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633399
N-[4-(2-morpholin-4-ylethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119860942
(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634548
2-(cyclopropylmethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
CID 119860951
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 120633725) is (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(CCN3CCOCC3)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is MBCKXLKBQJPART-NBLXOJGSSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-15-14-17(6-8-20-15)19(23)21-18-4-2-16(3-5-18)7-9-22-10-12-24-13-11-22;/h2-5,15,17,20H,6-14H2,1H3,(H,21,23);1H/t15-,17-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).