N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid

C20H31ClN4O5 — CID 154914764

IUPACN-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid
SMILESCOc1ccc(NC(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1Cl.O=CO
InChIInChI=1S/C19H29ClN4O3.CH2O2/c1-27-18-3-2-15(14-17(18)20)21-19(26)24-6-4-16(5-7-24)23-10-8-22(9-11-23)12-13-25;2-1-3/h2-3,14,16,25H,4-13H2,1H3,(H,21,26);1H,(H,2,3)
InChIKeySQFYWUZKNYNWBB-UHFFFAOYSA-N
MW442.94 g/mol
LogP1.66
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid

N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid (PubChem CID 154914764) has the molecular formula C20H31ClN4O5 and a molecular weight of 442.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid
PubChem CID154914764
Molecular FormulaC20H31ClN4O5
Molecular Weight442.94 g/mol
Exact Mass442.20
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid
SMILESCOc1ccc(NC(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1Cl.O=CO
InChIInChI=1S/C19H29ClN4O3.CH2O2/c1-27-18-3-2-15(14-17(18)20)21-19(26)24-6-4-16(5-7-24)23-10-8-22(9-11-23)12-13-25;2-1-3/h2-3,14,16,25H,4-13H2,1H3,(H,21,26);1H,(H,2,3)
InChIKeySQFYWUZKNYNWBB-UHFFFAOYSA-N
XLogP1.66
TPSA105.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 53057885
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 15923223
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carboxamide
CID 154566803
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid (CID 154914764) is N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid is COc1ccc(NC(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1Cl.O=CO.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid?
The InChIKey is SQFYWUZKNYNWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O3.CH2O2/c1-27-18-3-2-15(14-17(18)20)21-19(26)24-6-4-16(5-7-24)23-10-8-22(9-11-23)12-13-25;2-1-3/h2-3,14,16,25H,4-13H2,1H3,(H,21,26);1H,(H,2,3).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid?
N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid has a molecular weight of 442.94 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid is sourced from PubChem (CID 154914764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).