3-[(1-methylpiperidin-4-yl)amino]butanamide

C10H21N3O — CID 115572762

IUPAC3-[(1-methylpiperidin-4-yl)amino]butanamide
SMILESCC(CC(N)=O)NC1CCN(C)CC1
InChIInChI=1S/C10H21N3O/c1-8(7-10(11)14)12-9-3-5-13(2)6-4-9/h8-9,12H,3-7H2,1-2H3,(H2,11,14)
InChIKeyBXHINDNZRDCNBU-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.07
Rot. Bonds4

About 3-[(1-methylpiperidin-4-yl)amino]butanamide

3-[(1-methylpiperidin-4-yl)amino]butanamide (PubChem CID 115572762) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)amino]butanamide
PubChem CID115572762
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(1-methylpiperidin-4-yl)amino]butanamide
SMILESCC(CC(N)=O)NC1CCN(C)CC1
InChIInChI=1S/C10H21N3O/c1-8(7-10(11)14)12-9-3-5-13(2)6-4-9/h8-9,12H,3-7H2,1-2H3,(H2,11,14)
InChIKeyBXHINDNZRDCNBU-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide
CID 115572761
3-[(4-hydroxycyclohexyl)amino]butanamide
CID 45281355
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
CID 113250232
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407
1-methyl-N-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 64630112
3-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373494
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
CID 104585278
N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride
CID 22934824
2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 154950670
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]butanamide?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]butanamide (CID 115572762) is 3-[(1-methylpiperidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)amino]butanamide?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)amino]butanamide is CC(CC(N)=O)NC1CCN(C)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)amino]butanamide?
The InChIKey is BXHINDNZRDCNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(7-10(11)14)12-9-3-5-13(2)6-4-9/h8-9,12H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 3-[(1-methylpiperidin-4-yl)amino]butanamide?
3-[(1-methylpiperidin-4-yl)amino]butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)amino]butanamide is sourced from PubChem (CID 115572762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).