N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C15H24N4O — CID 122560463

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NCCc1ncc[nH]1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H24N4O/c20-14(18-8-5-13-16-9-10-17-13)15(6-1-2-7-15)19-11-3-4-12-19/h9-10H,1-8,11-12H2,(H,16,17)(H,18,20)
InChIKeyCCKIGOADFWPKJB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 122560463) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID122560463
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NCCc1ncc[nH]1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H24N4O/c20-14(18-8-5-13-16-9-10-17-13)15(6-1-2-7-15)19-11-3-4-12-19/h9-10H,1-8,11-12H2,(H,16,17)(H,18,20)
InChIKeyCCKIGOADFWPKJB-UHFFFAOYSA-N
XLogP1.48
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 122560463) is N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is O=C(NCCc1ncc[nH]1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is CCKIGOADFWPKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-14(18-8-5-13-16-9-10-17-13)15(6-1-2-7-15)19-11-3-4-12-19/h9-10H,1-8,11-12H2,(H,16,17)(H,18,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 122560463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).