N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide

C23H27ClN4O3 — CID 75270681

IUPACN-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1
InChIInChI=1S/C23H27ClN4O3/c1-31-21-8-3-2-7-18(21)22(29)25-17-9-11-28(12-10-17)23(30)20-14-19(26-27-20)15-5-4-6-16(24)13-15/h2-8,13,17,19-20,26-27H,9-12,14H2,1H3,(H,25,29)
InChIKeyJEQCTLDTFFNOEB-UHFFFAOYSA-N
MW442.95 g/mol
LogP2.68
Rot. Bonds5

About N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide

N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide (PubChem CID 75270681) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide
PubChem CID75270681
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC NameN-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1
InChIInChI=1S/C23H27ClN4O3/c1-31-21-8-3-2-7-18(21)22(29)25-17-9-11-28(12-10-17)23(30)20-14-19(26-27-20)15-5-4-6-16(24)13-15/h2-8,13,17,19-20,26-27H,9-12,14H2,1H3,(H,25,29)
InChIKeyJEQCTLDTFFNOEB-UHFFFAOYSA-N
XLogP2.68
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 75270685
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
CID 52989524
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide (CID 75270681) is N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1.
What is the InChIKey of N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is JEQCTLDTFFNOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-31-21-8-3-2-7-18(21)22(29)25-17-9-11-28(12-10-17)23(30)20-14-19(26-27-20)15-5-4-6-16(24)13-15/h2-8,13,17,19-20,26-27H,9-12,14H2,1H3,(H,25,29).
What are the key properties of N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide?
N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 442.95 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 75270681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).