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

C25H37N3O3 — CID 20972987

IUPACN-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1
InChIInChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-11-9-20(10-12-21)23(30)28-15-13-19(14-16-28)22(29)26-17-18-7-5-4-6-8-18/h9-12,18-19H,4-8,13-17H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyLNPNZXPRKJJRPS-UHFFFAOYSA-N
MW427.59 g/mol
LogP4.22
Rot. Bonds5

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

N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide (PubChem CID 20972987) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
PubChem CID20972987
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC NameN-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1
InChIInChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-11-9-20(10-12-21)23(30)28-15-13-19(14-16-28)22(29)26-17-18-7-5-4-6-8-18/h9-12,18-19H,4-8,13-17H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyLNPNZXPRKJJRPS-UHFFFAOYSA-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;2,2,2-trifluoroacetic acid
CID 146062871
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728997
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 46387307
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92728921
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide (CID 20972987) is N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide is CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide?
The InChIKey is LNPNZXPRKJJRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-25(2,3)24(31)27-21-11-9-20(10-12-21)23(30)28-15-13-19(14-16-28)22(29)26-17-18-7-5-4-6-8-18/h9-12,18-19H,4-8,13-17H2,1-3H3,(H,26,29)(H,27,31).
What are the key properties of N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide?
N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-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 N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20972987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).