4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide

C24H23ClN4O3 — CID 60600985

IUPAC4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H23ClN4O3/c25-21-16-19(9-10-22(21)32-17-20-8-4-5-11-26-20)27-24(31)29-14-12-28(13-15-29)23(30)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,31)
InChIKeyLQFAPNKVRDDSSI-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.30
Rot. Bonds5

About 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide

4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 60600985) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
PubChem CID60600985
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H23ClN4O3/c25-21-16-19(9-10-22(21)32-17-20-8-4-5-11-26-20)27-24(31)29-14-12-28(13-15-29)23(30)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,31)
InChIKeyLQFAPNKVRDDSSI-UHFFFAOYSA-N
XLogP4.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60600808
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 75396327
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
CID 60601007
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide (CID 60600985) is 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is LQFAPNKVRDDSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c25-21-16-19(9-10-22(21)32-17-20-8-4-5-11-26-20)27-24(31)29-14-12-28(13-15-29)23(30)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,31).
What are the key properties of 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide?
4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60600985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).