(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride

C19H33Cl2N3O — CID 119864228

IUPAC(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-15(2)12-18(20)19(23)21-13-16-8-10-22(11-9-16)14-17-6-4-3-5-7-17;;/h3-7,15-16,18H,8-14,20H2,1-2H3,(H,21,23);2*1H/t18-;;/m0../s1
InChIKeyLYXRTUDTLXYLIQ-NTEVMMBTSA-N
MW390.40 g/mol
LogP3.23
Rot. Bonds7

About (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride

(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride (PubChem CID 119864228) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
PubChem CID119864228
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-15(2)12-18(20)19(23)21-13-16-8-10-22(11-9-16)14-17-6-4-3-5-7-17;;/h3-7,15-16,18H,8-14,20H2,1-2H3,(H,21,23);2*1H/t18-;;/m0../s1
InChIKeyLYXRTUDTLXYLIQ-NTEVMMBTSA-N
XLogP3.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235
(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 118427405
3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119865519
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 119885169
(2S)-2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxypropanamide
CID 69214587
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2S)-2-amino-N-(1-benzyl-3-hydroxyazepan-4-yl)-4-methylpentanamide
CID 69145893
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
CID 508768
(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride
CID 73335428
(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide
CID 119901452

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride (CID 119864228) is (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride is CC(C)C[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride?
The InChIKey is LYXRTUDTLXYLIQ-NTEVMMBTSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-15(2)12-18(20)19(23)21-13-16-8-10-22(11-9-16)14-17-6-4-3-5-7-17;;/h3-7,15-16,18H,8-14,20H2,1-2H3,(H,21,23);2*1H/t18-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride?
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119864228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).