N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide

C23H32N4O3 — CID 55651049

IUPACN-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C23H32N4O3/c1-16-15-20(16)21(28)24-19-9-7-17(8-10-19)22(29)26-11-13-27(14-12-26)23(30)25-18-5-3-2-4-6-18/h7-10,16,18,20H,2-6,11-15H2,1H3,(H,24,28)(H,25,30)
InChIKeyNXHVDAIIMDHDHX-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.08
Rot. Bonds4

About N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide

N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide (PubChem CID 55651049) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
PubChem CID55651049
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C23H32N4O3/c1-16-15-20(16)21(28)24-19-9-7-17(8-10-19)22(29)26-11-13-27(14-12-26)23(30)25-18-5-3-2-4-6-18/h7-10,16,18,20H,2-6,11-15H2,1H3,(H,24,28)(H,25,30)
InChIKeyNXHVDAIIMDHDHX-UHFFFAOYSA-N
XLogP3.08
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023008
cis-(1S,2R)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023007
2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 46429453
N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 119624288
2-methyl-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119579414
1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea
CID 47510342
4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450621
cis-(1S,2R)-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38765611
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813431
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide (CID 55651049) is N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide is CC1CC1C(=O)Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide?
The InChIKey is NXHVDAIIMDHDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16-15-20(16)21(28)24-19-9-7-17(8-10-19)22(29)26-11-13-27(14-12-26)23(30)25-18-5-3-2-4-6-18/h7-10,16,18,20H,2-6,11-15H2,1H3,(H,24,28)(H,25,30).
What are the key properties of N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 55651049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).