N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

C20H31ClN4O — CID 10045247

IUPACN-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)N2CCN(c3ncccc3Cl)CC2)CC1
InChIInChI=1S/C20H31ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,23,26)
InChIKeyOYWBBTWPTZBRPZ-UHFFFAOYSA-N
MW378.95 g/mol
LogP4.17
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 10045247) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID10045247
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC NameN-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)N2CCN(c3ncccc3Cl)CC2)CC1
InChIInChI=1S/C20H31ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,23,26)
InChIKeyOYWBBTWPTZBRPZ-UHFFFAOYSA-N
XLogP4.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (CID 10045247) is N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is CC(C)(C)C1CCC(NC(=O)N2CCN(c3ncccc3Cl)CC2)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is OYWBBTWPTZBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,23,26).
What are the key properties of N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 378.95 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 10045247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).