N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

C20H30N4O3 — CID 4881488

IUPACN-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-15(19(26)22-20(27)21-16-5-3-2-4-6-16)23-11-13-24(14-12-23)17-7-9-18(25)10-8-17/h7-10,15-16,25H,2-6,11-14H2,1H3,(H2,21,22,26,27)
InChIKeyOJOVYKHIXCPHFT-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.06
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 4881488) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID4881488
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-15(19(26)22-20(27)21-16-5-3-2-4-6-16)23-11-13-24(14-12-23)17-7-9-18(25)10-8-17/h7-10,15-16,25H,2-6,11-14H2,1H3,(H2,21,22,26,27)
InChIKeyOJOVYKHIXCPHFT-UHFFFAOYSA-N
XLogP2.06
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (CID 4881488) is N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is CC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is OJOVYKHIXCPHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15(19(26)22-20(27)21-16-5-3-2-4-6-16)23-11-13-24(14-12-23)17-7-9-18(25)10-8-17/h7-10,15-16,25H,2-6,11-14H2,1H3,(H2,21,22,26,27).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 4881488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).