(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide

C13H27N3O — CID 79023285

IUPAC(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
SMILESCC[C@@H](N)C(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-3-12(14)13(17)15-7-4-8-16-9-5-11(2)6-10-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyAVFZFLYMSPTOOZ-GFCCVEGCSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide

(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide (PubChem CID 79023285) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
PubChem CID79023285
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
SMILESCC[C@@H](N)C(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-3-12(14)13(17)15-7-4-8-16-9-5-11(2)6-10-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyAVFZFLYMSPTOOZ-GFCCVEGCSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
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

3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
CID 119895445
2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride
CID 119851060
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
CID 113292330
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 62476274
2-methyl-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111387677
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide (CID 79023285) is (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide is CC[C@@H](N)C(=O)NCCCN1CCC(C)CC1.
What is the InChIKey of (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide?
The InChIKey is AVFZFLYMSPTOOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-12(14)13(17)15-7-4-8-16-9-5-11(2)6-10-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide?
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 79023285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).