(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide

C25H37N3O3 — CID 92728911

IUPAC(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1
InChIInChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-14-12-18(13-15-21)23(30)28-16-8-9-19(17-28)22(29)26-20-10-6-4-5-7-11-20/h12-15,19-20H,4-11,16-17H2,1-3H3,(H,26,29)(H,27,31)/t19-/m1/s1
InChIKeyOYJVNAZFVISUBK-LJQANCHMSA-N
MW427.59 g/mol
LogP4.36
Rot. Bonds4

About (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide

(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide (PubChem CID 92728911) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
PubChem CID92728911
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1
InChIInChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-14-12-18(13-15-21)23(30)28-16-8-9-19(17-28)22(29)26-20-10-6-4-5-7-11-20/h12-15,19-20H,4-11,16-17H2,1-3H3,(H,26,29)(H,27,31)/t19-/m1/s1
InChIKeyOYJVNAZFVISUBK-LJQANCHMSA-N
XLogP4.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728997
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46384471
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92728921
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972987
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide (CID 92728911) is (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide is CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1.
What is the InChIKey of (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The InChIKey is OYJVNAZFVISUBK-LJQANCHMSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-14-12-18(13-15-21)23(30)28-16-8-9-19(17-28)22(29)26-20-10-6-4-5-7-11-20/h12-15,19-20H,4-11,16-17H2,1-3H3,(H,26,29)(H,27,31)/t19-/m1/s1.
What are the key properties of (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92728911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).