(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide

C18H29N3O — CID 66565315

IUPAC(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)17(19)18(22)20-12-15-8-10-21(11-9-15)13-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13,19H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyVIABWCDSCQHZIK-KRWDZBQOSA-N
MW303.45 g/mol
LogP2.00
Rot. Bonds6

About (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide

(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide (PubChem CID 66565315) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
PubChem CID66565315
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)17(19)18(22)20-12-15-8-10-21(11-9-15)13-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13,19H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyVIABWCDSCQHZIK-KRWDZBQOSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119864228
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119865519
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66565350
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
CID 508768
(2S)-2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-methylbutanamide
CID 119872351
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
(2S)-2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxypropanamide
CID 69214587
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide (CID 66565315) is (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide?
The InChIKey is VIABWCDSCQHZIK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)17(19)18(22)20-12-15-8-10-21(11-9-15)13-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13,19H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide?
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide has a molecular weight of 303.45 g/mol, XLogP of 2.00, 6 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]-3-methylbutanamide is sourced from PubChem (CID 66565315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).