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

C25H37N3O3 — CID 92728997

IUPAC(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)cc1
InChIInChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-13-11-19(12-14-21)23(30)28-15-7-10-20(17-28)22(29)26-16-18-8-5-4-6-9-18/h11-14,18,20H,4-10,15-17H2,1-3H3,(H,26,29)(H,27,31)/t20-/m1/s1
InChIKeyJPAHIGDCINWMCG-HXUWFJFHSA-N
MW427.59 g/mol
LogP4.22
Rot. Bonds5

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

(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide (PubChem CID 92728997) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
PubChem CID92728997
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)cc1
InChIInChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-13-11-19(12-14-21)23(30)28-15-7-10-20(17-28)22(29)26-16-18-8-5-4-6-9-18/h11-14,18,20H,4-10,15-17H2,1-3H3,(H,26,29)(H,27,31)/t20-/m1/s1
InChIKeyJPAHIGDCINWMCG-HXUWFJFHSA-N
XLogP4.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972987
N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146062871
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911
(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92728921
(3R)-1-(4-cyclohexylbenzoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 51954362
(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 92728970
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
CID 92729695
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92728966

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide (CID 92728997) is (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide is CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)cc1.
What is the InChIKey of (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The InChIKey is JPAHIGDCINWMCG-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-13-11-19(12-14-21)23(30)28-15-7-10-20(17-28)22(29)26-16-18-8-5-4-6-9-18/h11-14,18,20H,4-10,15-17H2,1-3H3,(H,26,29)(H,27,31)/t20-/m1/s1.
What are the key properties of (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92728997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).