2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide

C10H21N3O — CID 82506005

IUPAC2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCCC1CCCN
InChIInChI=1S/C10H21N3O/c1-12-10(14)13-8-3-2-5-9(13)6-4-7-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyVAEYHOYLXJJQSB-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds3

About 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide

2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide (PubChem CID 82506005) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
PubChem CID82506005
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCCC1CCCN
InChIInChI=1S/C10H21N3O/c1-12-10(14)13-8-3-2-5-9(13)6-4-7-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyVAEYHOYLXJJQSB-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 63767696
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148
[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79155943
2-(3-aminopropyl)piperidine-1-carbodithioic acid
CID 87556906
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654539
[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 63765952
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide (CID 82506005) is 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCCCC1CCCN.
What is the InChIKey of 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide?
The InChIKey is VAEYHOYLXJJQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-10(14)13-8-3-2-5-9(13)6-4-7-11/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide?
2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 82506005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).