(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C18H27ClN2O2 — CID 120621348

IUPAC(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-11-14(9-10-19-13)18(21)20(16-7-8-16)12-15-5-3-4-6-17(15)22-2;/h3-6,13-14,16,19H,7-12H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyDSQORGWTYUXVLB-IODNYQNNSA-N
MW338.88 g/mol
LogP3.00
Rot. Bonds5

About (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120621348) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120621348
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-11-14(9-10-19-13)18(21)20(16-7-8-16)12-15-5-3-4-6-17(15)22-2;/h3-6,13-14,16,19H,7-12H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyDSQORGWTYUXVLB-IODNYQNNSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120621349
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
(2S,4S)-N-cyclopropyl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621334
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
CID 120639685
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 120617754
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963
N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 106739301
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120621348) is (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1ccccc1CN(C(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl.
What is the InChIKey of (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DSQORGWTYUXVLB-IODNYQNNSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13-11-14(9-10-19-13)18(21)20(16-7-8-16)12-15-5-3-4-6-17(15)22-2;/h3-6,13-14,16,19H,7-12H2,1-2H3;1H/t13-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).