(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide

C14H29N3O — CID 61173580

IUPAC(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC(C)N1CCCCC1
InChIInChI=1S/C14H29N3O/c1-4-11(2)13(15)14(18)16-10-12(3)17-8-6-5-7-9-17/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t11?,12?,13-/m0/s1
InChIKeyYKKNZHMLUMPWTL-BPCQOVAHSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide

(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide (PubChem CID 61173580) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
PubChem CID61173580
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC(C)N1CCCCC1
InChIInChI=1S/C14H29N3O/c1-4-11(2)13(15)14(18)16-10-12(3)17-8-6-5-7-9-17/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t11?,12?,13-/m0/s1
InChIKeyYKKNZHMLUMPWTL-BPCQOVAHSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107570261
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
2-pyrrolidin-1-ylpropylurea
CID 112728366
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide (CID 61173580) is (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide is CCC(C)[C@H](N)C(=O)NCC(C)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide?
The InChIKey is YKKNZHMLUMPWTL-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-11(2)13(15)14(18)16-10-12(3)17-8-6-5-7-9-17/h11-13H,4-10,15H2,1-3H3,(H,16,18)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide?
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 61173580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).