5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide

C20H22ClN3O3 — CID 166281531

IUPAC5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cncc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-23(2)19(25)14-11-15(13-22-12-14)20(26)24-9-7-18(8-10-24)27-17-5-3-16(21)4-6-17/h3-6,11-13,18H,7-10H2,1-2H3
InChIKeyPVXSMJLQSFNVMQ-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.12
Rot. Bonds4

About 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide

5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 166281531) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID166281531
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cncc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-23(2)19(25)14-11-15(13-22-12-14)20(26)24-9-7-18(8-10-24)27-17-5-3-16(21)4-6-17/h3-6,11-13,18H,7-10H2,1-2H3
InChIKeyPVXSMJLQSFNVMQ-UHFFFAOYSA-N
XLogP3.12
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone
CID 166281577
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 67169499
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
[4-(4-chlorophenoxy)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 67168780
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide (CID 166281531) is 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cncc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is PVXSMJLQSFNVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-23(2)19(25)14-11-15(13-22-12-14)20(26)24-9-7-18(8-10-24)27-17-5-3-16(21)4-6-17/h3-6,11-13,18H,7-10H2,1-2H3.
What are the key properties of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide?
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 166281531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).