(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride

C19H31Cl2N3O — CID 119878274

IUPAC(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
SMILESCN(C(=O)[C@@H]1CCCCN1)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-21(19(23)18-9-5-6-12-20-18)17-10-13-22(14-11-17)15-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H/t18-;;/m0../s1
InChIKeyNFNFVCGZPAKESL-NTEVMMBTSA-N
MW388.38 g/mol
LogP3.10
Rot. Bonds4

About (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride

(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride (PubChem CID 119878274) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
PubChem CID119878274
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC Name(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
SMILESCN(C(=O)[C@@H]1CCCCN1)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-21(19(23)18-9-5-6-12-20-18)17-10-13-22(14-11-17)15-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H/t18-;;/m0../s1
InChIKeyNFNFVCGZPAKESL-NTEVMMBTSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
CID 119872711
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 23520170
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride (CID 119878274) is (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride is CN(C(=O)[C@@H]1CCCCN1)C1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride?
The InChIKey is NFNFVCGZPAKESL-NTEVMMBTSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-21(19(23)18-9-5-6-12-20-18)17-10-13-22(14-11-17)15-16-7-3-2-4-8-16;;/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3;2*1H/t18-;;/m0../s1.
What are the key properties of (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride?
(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119878274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).