3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride

C17H22Cl2N4O3 — CID 119429245

IUPAC3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC1CCCNC1
InChIInChI=1S/C17H21ClN4O3.ClH/c18-11-3-5-13(6-4-11)22-16(24)14(21-17(22)25)7-8-15(23)20-12-2-1-9-19-10-12;/h3-6,12,14,19H,1-2,7-10H2,(H,20,23)(H,21,25);1H
InChIKeyWRFYHYKEMSMPEQ-UHFFFAOYSA-N
MW401.29 g/mol
LogP1.84
Rot. Bonds5

About 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride

3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride (PubChem CID 119429245) has the molecular formula C17H22Cl2N4O3 and a molecular weight of 401.29 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride
PubChem CID119429245
Molecular FormulaC17H22Cl2N4O3
Molecular Weight401.29 g/mol
Exact Mass400.11
IUPAC Name3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC1CCCNC1
InChIInChI=1S/C17H21ClN4O3.ClH/c18-11-3-5-13(6-4-11)22-16(24)14(21-17(22)25)7-8-15(23)20-12-2-1-9-19-10-12;/h3-6,12,14,19H,1-2,7-10H2,(H,20,23)(H,21,25);1H
InChIKeyWRFYHYKEMSMPEQ-UHFFFAOYSA-N
XLogP1.84
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride (CID 119429245) is 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride is Cl.O=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC1CCCNC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride?
The InChIKey is WRFYHYKEMSMPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3.ClH/c18-11-3-5-13(6-4-11)22-16(24)14(21-17(22)25)7-8-15(23)20-12-2-1-9-19-10-12;/h3-6,12,14,19H,1-2,7-10H2,(H,20,23)(H,21,25);1H.
What are the key properties of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride?
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride has a molecular weight of 401.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119429245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).