4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide

C16H24ClN3O2 — CID 17171276

IUPAC4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O2/c1-2-22-13-3-8-18-16(21)20-11-9-19(10-12-20)15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyNSJFSAZKUFVISE-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.60
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide

4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide (PubChem CID 17171276) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
PubChem CID17171276
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O2/c1-2-22-13-3-8-18-16(21)20-11-9-19(10-12-20)15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyNSJFSAZKUFVISE-UHFFFAOYSA-N
XLogP2.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 127565527
N-butyl-4-[4-[(4-chlorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4310467
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide (CID 17171276) is 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide is CCOCCCNC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide?
The InChIKey is NSJFSAZKUFVISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-2-22-13-3-8-18-16(21)20-11-9-19(10-12-20)15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,18,21).
What are the key properties of 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 17171276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).