N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide

C16H23N3O — CID 106213127

IUPACN-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESC#CCCCCNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H23N3O/c1-2-3-4-5-10-18-16(20)15-7-6-13-19(15)14-8-11-17-12-9-14/h1,6-7,13-14,17H,3-5,8-12H2,(H,18,20)
InChIKeyULZBHCONCMCGEL-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.95
Rot. Bonds6

About N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide

N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 106213127) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID106213127
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESC#CCCCCNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H23N3O/c1-2-3-4-5-10-18-16(20)15-7-6-13-19(15)14-8-11-17-12-9-14/h1,6-7,13-14,17H,3-5,8-12H2,(H,18,20)
InChIKeyULZBHCONCMCGEL-UHFFFAOYSA-N
XLogP1.95
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
CID 62715930
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
6-[(1-cyclopropylpyrrole-2-carbonyl)amino]hexanoic acid
CID 43639266
N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106175020
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
1-cyclobutyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 114610271
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
N-(furan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716089

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide (CID 106213127) is N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide is C#CCCCCNC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is ULZBHCONCMCGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-4-5-10-18-16(20)15-7-6-13-19(15)14-8-11-17-12-9-14/h1,6-7,13-14,17H,3-5,8-12H2,(H,18,20).
What are the key properties of N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide?
N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 106213127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).