1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide

C22H26ClN3O3 — CID 166207984

IUPAC1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)NC(CCO)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C22H26ClN3O3/c23-18-7-3-15(4-8-18)20(11-13-27)25-22(29)16-5-9-19(10-6-16)26-12-1-2-17(14-26)21(24)28/h3-10,17,20,27H,1-2,11-14H2,(H2,24,28)(H,25,29)
InChIKeyJSDBWYJUXBUVJL-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.90
Rot. Bonds7

About 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide

1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 166207984) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide
PubChem CID166207984
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)NC(CCO)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C22H26ClN3O3/c23-18-7-3-15(4-8-18)20(11-13-27)25-22(29)16-5-9-19(10-6-16)26-12-1-2-17(14-26)21(24)28/h3-10,17,20,27H,1-2,11-14H2,(H2,24,28)(H,25,29)
InChIKeyJSDBWYJUXBUVJL-UHFFFAOYSA-N
XLogP2.90
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide (CID 166207984) is 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(C(=O)NC(CCO)c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is JSDBWYJUXBUVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c23-18-7-3-15(4-8-18)20(11-13-27)25-22(29)16-5-9-19(10-6-16)26-12-1-2-17(14-26)21(24)28/h3-10,17,20,27H,1-2,11-14H2,(H2,24,28)(H,25,29).
What are the key properties of 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide?
1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 415.92 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 166207984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).