4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide

C19H29ClN4O — CID 44579476

IUPAC4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H29ClN4O/c1-21(10-11-22-8-3-2-4-9-22)19(25)24-14-12-23(13-15-24)18-7-5-6-17(20)16-18/h5-7,16H,2-4,8-15H2,1H3
InChIKeyRWKPIEGRBPYNIV-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.00
Rot. Bonds4

About 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 44579476) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID44579476
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H29ClN4O/c1-21(10-11-22-8-3-2-4-9-22)19(25)24-14-12-23(13-15-24)18-7-5-6-17(20)16-18/h5-7,16H,2-4,8-15H2,1H3
InChIKeyRWKPIEGRBPYNIV-UHFFFAOYSA-N
XLogP3.00
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide (CID 44579476) is 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is RWKPIEGRBPYNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c1-21(10-11-22-8-3-2-4-9-22)19(25)24-14-12-23(13-15-24)18-7-5-6-17(20)16-18/h5-7,16H,2-4,8-15H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 44579476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).