2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide

C12H25N3O — CID 83623800

IUPAC2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
SMILESCC(C)CN1CCC(NC(=O)C(C)N)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)8-15-6-4-11(5-7-15)14-12(16)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyPFQDAVZBYXCPCT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide

2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide (PubChem CID 83623800) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
PubChem CID83623800
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
SMILESCC(C)CN1CCC(NC(=O)C(C)N)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)8-15-6-4-11(5-7-15)14-12(16)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyPFQDAVZBYXCPCT-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
(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-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119841092
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119841081
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
CID 120874179
1-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119841090
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide (CID 83623800) is 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide is CC(C)CN1CCC(NC(=O)C(C)N)CC1.
What is the InChIKey of 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The InChIKey is PFQDAVZBYXCPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)8-15-6-4-11(5-7-15)14-12(16)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 83623800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).