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

C9H19N3O — CID 43373494

IUPAC3-[(1-methylpiperidin-4-yl)amino]propanamide
SMILESCN1CCC(NCCC(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-12-6-3-8(4-7-12)11-5-2-9(10)13/h8,11H,2-7H2,1H3,(H2,10,13)
InChIKeyIOGPXPMLPVOVDV-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.45
Rot. Bonds4

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

3-[(1-methylpiperidin-4-yl)amino]propanamide (PubChem CID 43373494) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)amino]propanamide
PubChem CID43373494
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[(1-methylpiperidin-4-yl)amino]propanamide
SMILESCN1CCC(NCCC(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-12-6-3-8(4-7-12)11-5-2-9(10)13/h8,11H,2-7H2,1H3,(H2,10,13)
InChIKeyIOGPXPMLPVOVDV-UHFFFAOYSA-N
XLogP-0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
2-[(1-methylazepan-4-yl)amino]ethylurea
CID 83111293
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 83116217
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
2-[2-[(1-methylpiperidin-4-yl)amino]ethylamino]ethanol
CID 167265274
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
N-methyl-2-[(1-methylpiperidin-4-yl)amino]acetamide
CID 43214516
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
3-[(1-methylpiperidin-4-yl)amino]butanamide
CID 115572762

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]propanamide?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]propanamide (CID 43373494) is 3-[(1-methylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)amino]propanamide is CN1CCC(NCCC(N)=O)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)amino]propanamide?
The InChIKey is IOGPXPMLPVOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12-6-3-8(4-7-12)11-5-2-9(10)13/h8,11H,2-7H2,1H3,(H2,10,13).
What are the key properties of 3-[(1-methylpiperidin-4-yl)amino]propanamide?
3-[(1-methylpiperidin-4-yl)amino]propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.45, 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]propanamide is sourced from PubChem (CID 43373494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).