3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide

C12H25N3O — CID 115572761

IUPAC3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide
SMILESCC(CC(N)=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)15-6-4-11(5-7-15)14-10(3)8-12(13)16/h9-11,14H,4-8H2,1-3H3,(H2,13,16)
InChIKeySRHBTZDBOSPAGP-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds5

About 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide

3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide (PubChem CID 115572761) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide
PubChem CID115572761
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide
SMILESCC(CC(N)=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)15-6-4-11(5-7-15)14-10(3)8-12(13)16/h9-11,14H,4-8H2,1-3H3,(H2,13,16)
InChIKeySRHBTZDBOSPAGP-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidin-4-yl)amino]butanamide
CID 115572762
3-[(4-hydroxycyclohexyl)amino]butanamide
CID 45281355
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
CID 113250232
N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43746779
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
CID 43688946
N-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]propanamide
CID 60677160
4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 113376079
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide?
The IUPAC name of 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide (CID 115572761) is 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide?
The canonical SMILES for 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide is CC(CC(N)=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide?
The InChIKey is SRHBTZDBOSPAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)15-6-4-11(5-7-15)14-10(3)8-12(13)16/h9-11,14H,4-8H2,1-3H3,(H2,13,16).
What are the key properties of 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide?
3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide is sourced from PubChem (CID 115572761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).