(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide

C16H33N3O — CID 119852727

IUPAC(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCCN1CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-13(2)11-15(17)16(20)18-8-4-5-9-19-10-6-7-14(3)12-19/h13-15H,4-12,17H2,1-3H3,(H,18,20)/t14?,15-/m0/s1
InChIKeyQQDMDPUMRGULEJ-LOACHALJSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds8

About (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide

(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide (PubChem CID 119852727) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
PubChem CID119852727
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCCN1CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-13(2)11-15(17)16(20)18-8-4-5-9-19-10-6-7-14(3)12-19/h13-15H,4-12,17H2,1-3H3,(H,18,20)/t14?,15-/m0/s1
InChIKeyQQDMDPUMRGULEJ-LOACHALJSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119852698
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
(2R)-2-amino-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide;dihydrochloride
CID 119851018
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 120595508

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide (CID 119852727) is (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide is CC(C)C[C@H](N)C(=O)NCCCCN1CCCC(C)C1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide?
The InChIKey is QQDMDPUMRGULEJ-LOACHALJSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)11-15(17)16(20)18-8-4-5-9-19-10-6-7-14(3)12-19/h13-15H,4-12,17H2,1-3H3,(H,18,20)/t14?,15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide?
(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide is sourced from PubChem (CID 119852727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).