(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H29ClN2O2 — CID 120634548

IUPAC(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)CCN1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-14-12-16(10-11-20-14)19(22)21-17-8-6-15(7-9-17)13-23-18-4-2-3-5-18;/h6-9,14,16,18,20H,2-5,10-13H2,1H3,(H,21,22);1H/t14-,16-;/m0./s1
InChIKeyWIBDTZCGSRNKRK-DMLYUBSXSA-N
MW352.91 g/mol
LogP3.89
Rot. Bonds5

About (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120634548) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120634548
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)CCN1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-14-12-16(10-11-20-14)19(22)21-17-8-6-15(7-9-17)13-23-18-4-2-3-5-18;/h6-9,14,16,18,20H,2-5,10-13H2,1H3,(H,21,22);1H/t14-,16-;/m0./s1
InChIKeyWIBDTZCGSRNKRK-DMLYUBSXSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
3-amino-N-[4-(cyclopentyloxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119795202
2-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976294
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120636884
(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120639837
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 120620844
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120634548) is (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is WIBDTZCGSRNKRK-DMLYUBSXSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-14-12-16(10-11-20-14)19(22)21-17-8-6-15(7-9-17)13-23-18-4-2-3-5-18;/h6-9,14,16,18,20H,2-5,10-13H2,1H3,(H,21,22);1H/t14-,16-;/m0./s1.
What are the key properties of (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).