N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

C20H32N4O — CID 133124489

IUPACN-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCCC[C@@H]1CN(C2CCCC2)C[C@H]1NC(=O)C1(Cn2ccnc2)CC1
InChIInChI=1S/C20H32N4O/c1-2-5-16-12-24(17-6-3-4-7-17)13-18(16)22-19(25)20(8-9-20)14-23-11-10-21-15-23/h10-11,15-18H,2-9,12-14H2,1H3,(H,22,25)/t16-,18-/m1/s1
InChIKeyBENSGWQQNKCHID-SJLPKXTDSA-N
MW344.50 g/mol
LogP2.82
Rot. Bonds7

About N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 133124489) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID133124489
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCCC[C@@H]1CN(C2CCCC2)C[C@H]1NC(=O)C1(Cn2ccnc2)CC1
InChIInChI=1S/C20H32N4O/c1-2-5-16-12-24(17-6-3-4-7-17)13-18(16)22-19(25)20(8-9-20)14-23-11-10-21-15-23/h10-11,15-18H,2-9,12-14H2,1H3,(H,22,25)/t16-,18-/m1/s1
InChIKeyBENSGWQQNKCHID-SJLPKXTDSA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 133124489) is N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is CCC[C@@H]1CN(C2CCCC2)C[C@H]1NC(=O)C1(Cn2ccnc2)CC1.
What is the InChIKey of N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is BENSGWQQNKCHID-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-5-16-12-24(17-6-3-4-7-17)13-18(16)22-19(25)20(8-9-20)14-23-11-10-21-15-23/h10-11,15-18H,2-9,12-14H2,1H3,(H,22,25)/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 133124489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).