1-[3-(methylamino)propyl]piperidine-3-carboxamide

C10H21N3O — CID 61386237

IUPAC1-[3-(methylamino)propyl]piperidine-3-carboxamide
SMILESCNCCCN1CCCC(C(N)=O)C1
InChIInChI=1S/C10H21N3O/c1-12-5-3-7-13-6-2-4-9(8-13)10(11)14/h9,12H,2-8H2,1H3,(H2,11,14)
InChIKeyPDSSPKAQWOSKGQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.21
Rot. Bonds5

About 1-[3-(methylamino)propyl]piperidine-3-carboxamide

1-[3-(methylamino)propyl]piperidine-3-carboxamide (PubChem CID 61386237) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]piperidine-3-carboxamide
PubChem CID61386237
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[3-(methylamino)propyl]piperidine-3-carboxamide
SMILESCNCCCN1CCCC(C(N)=O)C1
InChIInChI=1S/C10H21N3O/c1-12-5-3-7-13-6-2-4-9(8-13)10(11)14/h9,12H,2-8H2,1H3,(H2,11,14)
InChIKeyPDSSPKAQWOSKGQ-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(methylamino)propyl]piperidine-3-carboxamide (CID 61386237) is 1-[3-(methylamino)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(methylamino)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(methylamino)propyl]piperidine-3-carboxamide is CNCCCN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[3-(methylamino)propyl]piperidine-3-carboxamide?
The InChIKey is PDSSPKAQWOSKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-5-3-7-13-6-2-4-9(8-13)10(11)14/h9,12H,2-8H2,1H3,(H2,11,14).
What are the key properties of 1-[3-(methylamino)propyl]piperidine-3-carboxamide?
1-[3-(methylamino)propyl]piperidine-3-carboxamide has a molecular weight of 199.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 61386237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).