(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C14H28ClN3O — CID 120635209

IUPAC(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CCNC(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-3-17(13-4-5-13)9-8-16-14(18)12-6-7-15-11(2)10-12;/h11-13,15H,3-10H2,1-2H3,(H,16,18);1H/t11-,12-;/m0./s1
InChIKeyKYHYMFGFUONEBB-FXMYHANSSA-N
MW289.85 g/mol
LogP1.40
Rot. Bonds6

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

(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120635209) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120635209
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CCNC(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-3-17(13-4-5-13)9-8-16-14(18)12-6-7-15-11(2)10-12;/h11-13,15H,3-10H2,1-2H3,(H,16,18);1H/t11-,12-;/m0./s1
InChIKeyKYHYMFGFUONEBB-FXMYHANSSA-N
XLogP1.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120622256
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid
CID 114006821

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120635209) is (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCN(CCNC(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl.
What is the InChIKey of (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is KYHYMFGFUONEBB-FXMYHANSSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-3-17(13-4-5-13)9-8-16-14(18)12-6-7-15-11(2)10-12;/h11-13,15H,3-10H2,1-2H3,(H,16,18);1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).