N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide

C17H27N3O2 — CID 113103898

IUPACN-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H27N3O2/c1-3-5-10-18-17(21)20-13-11-19(12-14-20)15-6-8-16(9-7-15)22-4-2/h6-9H,3-5,10-14H2,1-2H3,(H,18,21)
InChIKeyFGEPDNDVMANMLR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.72
Rot. Bonds6

About N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide

N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113103898) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113103898
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H27N3O2/c1-3-5-10-18-17(21)20-13-11-19(12-14-20)15-6-8-16(9-7-15)22-4-2/h6-9H,3-5,10-14H2,1-2H3,(H,18,21)
InChIKeyFGEPDNDVMANMLR-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(4-ethoxyphenyl)-N-(2-methylsulfanylethyl)-1,4-diazepane-1-carboxamide
CID 142556048
N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4043726
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
2-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-oxoacetic acid
CID 94287158
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 3970845
N-butyl-4-[4-[(4-chlorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4310467
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 113103898) is N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccc(OCC)cc2)CC1.
What is the InChIKey of N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is FGEPDNDVMANMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-5-10-18-17(21)20-13-11-19(12-14-20)15-6-8-16(9-7-15)22-4-2/h6-9H,3-5,10-14H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).