(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C17H29ClN4O — CID 120633158

IUPAC(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)c1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cn1.Cl
InChIInChI=1S/C17H28N4O.ClH/c1-4-21(5-2)16-7-6-14(11-19-16)12-20-17(22)15-8-9-18-13(3)10-15;/h6-7,11,13,15,18H,4-5,8-10,12H2,1-3H3,(H,20,22);1H/t13-,15-;/m0./s1
InChIKeyZHOXZMXTRZDWNP-SLHAJLBXSA-N
MW340.90 g/mol
LogP2.35
Rot. Bonds6

About (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120633158) has the molecular formula C17H29ClN4O and a molecular weight of 340.90 g/mol. Its IUPAC name is (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120633158
Molecular FormulaC17H29ClN4O
Molecular Weight340.90 g/mol
Exact Mass340.20
IUPAC Name(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)c1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cn1.Cl
InChIInChI=1S/C17H28N4O.ClH/c1-4-21(5-2)16-7-6-14(11-19-16)12-20-17(22)15-8-9-18-13(3)10-15;/h6-7,11,13,15,18H,4-5,8-10,12H2,1-3H3,(H,20,22);1H/t13-,15-;/m0./s1
InChIKeyZHOXZMXTRZDWNP-SLHAJLBXSA-N
XLogP2.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(diethylamino)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119846329
(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120636109
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120632053
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120632054
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94171902
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
(2S,4S)-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633132
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120633158) is (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCN(CC)c1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cn1.Cl.
What is the InChIKey of (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZHOXZMXTRZDWNP-SLHAJLBXSA-N. The full InChI is InChI=1S/C17H28N4O.ClH/c1-4-21(5-2)16-7-6-14(11-19-16)12-20-17(22)15-8-9-18-13(3)10-15;/h6-7,11,13,15,18H,4-5,8-10,12H2,1-3H3,(H,20,22);1H/t13-,15-;/m0./s1.
What are the key properties of (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).