(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide

C16H26N4O — CID 124875381

IUPAC(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)N(C)C2CCCC2)C[C@H]1n1ccnc1
InChIInChI=1S/C16H26N4O/c1-13-7-9-19(11-15(13)20-10-8-17-12-20)16(21)18(2)14-5-3-4-6-14/h8,10,12-15H,3-7,9,11H2,1-2H3/t13-,15+/m0/s1
InChIKeySRNGSZUCTVLGTH-DZGCQCFKSA-N
MW290.41 g/mol
LogP2.76
Rot. Bonds2

About (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide

(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide (PubChem CID 124875381) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
PubChem CID124875381
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)N(C)C2CCCC2)C[C@H]1n1ccnc1
InChIInChI=1S/C16H26N4O/c1-13-7-9-19(11-15(13)20-10-8-17-12-20)16(21)18(2)14-5-3-4-6-14/h8,10,12-15H,3-7,9,11H2,1-2H3/t13-,15+/m0/s1
InChIKeySRNGSZUCTVLGTH-DZGCQCFKSA-N
XLogP2.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide (CID 124875381) is (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide is C[C@H]1CCN(C(=O)N(C)C2CCCC2)C[C@H]1n1ccnc1.
What is the InChIKey of (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide?
The InChIKey is SRNGSZUCTVLGTH-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-7-9-19(11-15(13)20-10-8-17-12-20)16(21)18(2)14-5-3-4-6-14/h8,10,12-15H,3-7,9,11H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide?
(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 124875381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).