N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide

C14H23N3O — CID 2822464

IUPACN-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(n2cccc2)CC1
InChIInChI=1S/C14H23N3O/c1-2-3-8-15-14(18)17-11-6-13(7-12-17)16-9-4-5-10-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,15,18)
InChIKeyAJMDDDKHFAKXEV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds4

About N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide

N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide (PubChem CID 2822464) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide
PubChem CID2822464
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(n2cccc2)CC1
InChIInChI=1S/C14H23N3O/c1-2-3-8-15-14(18)17-11-6-13(7-12-17)16-9-4-5-10-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,15,18)
InChIKeyAJMDDDKHFAKXEV-UHFFFAOYSA-N
XLogP2.63
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 21922730
CID 21922730
CID 75394161
CID 75394161
CID 85628149
CID 85628149
CID 75481267
CID 75481267
CID 2805517
CID 2805517
CID 45106964
CID 45106964
CID 85628323
CID 85628323
CID 134975771
CID 134975771
CID 13811349
CID 13811349
CID 57561805
CID 57561805
CID 88560062
CID 88560062
CID 71980029
CID 71980029

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide (CID 2822464) is N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide is CCCCNC(=O)N1CCC(n2cccc2)CC1.
What is the InChIKey of N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide?
The InChIKey is AJMDDDKHFAKXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-8-15-14(18)17-11-6-13(7-12-17)16-9-4-5-10-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,15,18).
What are the key properties of N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide?
N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 2822464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).