N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide

C24H37N3O2 — CID 109147520

IUPACN-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-4-25-14-16-26(17-15-25)23(28)21-10-12-22(13-11-21)24(29)27(19(2)3)18-20-8-6-5-7-9-20/h5-9,19,21-22H,4,10-18H2,1-3H3
InChIKeyXTSRPEHXDSPWKN-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.39
Rot. Bonds6

About N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide

N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 109147520) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID109147520
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-4-25-14-16-26(17-15-25)23(28)21-10-12-22(13-11-21)24(29)27(19(2)3)18-20-8-6-5-7-9-20/h5-9,19,21-22H,4,10-18H2,1-3H3
InChIKeyXTSRPEHXDSPWKN-UHFFFAOYSA-N
XLogP3.39
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 109147520) is N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide is CCN1CCN(C(=O)C2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)CC1.
What is the InChIKey of N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is XTSRPEHXDSPWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-4-25-14-16-26(17-15-25)23(28)21-10-12-22(13-11-21)24(29)27(19(2)3)18-20-8-6-5-7-9-20/h5-9,19,21-22H,4,10-18H2,1-3H3.
What are the key properties of N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide?
N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 109147520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).