1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide

C19H23ClN4O3 — CID 135087320

IUPAC1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N(CCO)Cc2ncc[nH]2)CC1
InChIInChI=1S/C19H23ClN4O3/c20-16-3-1-2-15(12-16)19(27)23-8-4-14(5-9-23)18(26)24(10-11-25)13-17-21-6-7-22-17/h1-3,6-7,12,14,25H,4-5,8-11,13H2,(H,21,22)
InChIKeyXGMVNHNKHPGLRE-UHFFFAOYSA-N
MW390.87 g/mol
LogP1.94
Rot. Bonds6

About 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide

1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 135087320) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID135087320
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N(CCO)Cc2ncc[nH]2)CC1
InChIInChI=1S/C19H23ClN4O3/c20-16-3-1-2-15(12-16)19(27)23-8-4-14(5-9-23)18(26)24(10-11-25)13-17-21-6-7-22-17/h1-3,6-7,12,14,25H,4-5,8-11,13H2,(H,21,22)
InChIKeyXGMVNHNKHPGLRE-UHFFFAOYSA-N
XLogP1.94
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide (CID 135087320) is 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide is O=C(c1cccc(Cl)c1)N1CCC(C(=O)N(CCO)Cc2ncc[nH]2)CC1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is XGMVNHNKHPGLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c20-16-3-1-2-15(12-16)19(27)23-8-4-14(5-9-23)18(26)24(10-11-25)13-17-21-6-7-22-17/h1-3,6-7,12,14,25H,4-5,8-11,13H2,(H,21,22).
What are the key properties of 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide?
1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 135087320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).