(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide

C15H31N3O — CID 61173353

IUPAC(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
SMILESCCCCN1CCC(NC(=O)[C@@H](N)C(C)CC)CC1
InChIInChI=1S/C15H31N3O/c1-4-6-9-18-10-7-13(8-11-18)17-15(19)14(16)12(3)5-2/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t12?,14-/m0/s1
InChIKeyBKWVVYGDVROSDU-PYMCNQPYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide

(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide (PubChem CID 61173353) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
PubChem CID61173353
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
SMILESCCCCN1CCC(NC(=O)[C@@H](N)C(C)CC)CC1
InChIInChI=1S/C15H31N3O/c1-4-6-9-18-10-7-13(8-11-18)17-15(19)14(16)12(3)5-2/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t12?,14-/m0/s1
InChIKeyBKWVVYGDVROSDU-PYMCNQPYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
CID 54863095
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
N-(1-butylpiperidin-4-yl)-4-hydroxypentanamide
CID 79205186
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide (CID 61173353) is (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide is CCCCN1CCC(NC(=O)[C@@H](N)C(C)CC)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide?
The InChIKey is BKWVVYGDVROSDU-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-6-9-18-10-7-13(8-11-18)17-15(19)14(16)12(3)5-2/h12-14H,4-11,16H2,1-3H3,(H,17,19)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide?
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 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-butylpiperidin-4-yl)-3-methylpentanamide is sourced from PubChem (CID 61173353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).