1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide

C24H34ClN3O3 — CID 56569664

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC2CCN(CC=C(C)C)CC2)CC1
InChIInChI=1S/C24H34ClN3O3/c1-17(2)6-11-27-12-9-20(10-13-27)26-23(29)18-7-14-28(15-8-18)24(30)21-16-19(25)4-5-22(21)31-3/h4-6,16,18,20H,7-15H2,1-3H3,(H,26,29)
InChIKeyBRQNHKLRGNSRNO-UHFFFAOYSA-N
MW448.01 g/mol
LogP3.75
Rot. Bonds6

About 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 56569664) has the molecular formula C24H34ClN3O3 and a molecular weight of 448.01 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID56569664
Molecular FormulaC24H34ClN3O3
Molecular Weight448.01 g/mol
Exact Mass447.23
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC2CCN(CC=C(C)C)CC2)CC1
InChIInChI=1S/C24H34ClN3O3/c1-17(2)6-11-27-12-9-20(10-13-27)26-23(29)18-7-14-28(15-8-18)24(30)21-16-19(25)4-5-22(21)31-3/h4-6,16,18,20H,7-15H2,1-3H3,(H,26,29)
InChIKeyBRQNHKLRGNSRNO-UHFFFAOYSA-N
XLogP3.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55949123
N-(1-benzylpiperidin-3-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 55653629
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555592
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569031
1-(5-chloro-2-methoxybenzoyl)-N-[(1R,3S,4R)-3-methoxy-2,2,4-trimethylcyclobutyl]piperidine-4-carboxamide
CID 100907665
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553430
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide (CID 56569664) is 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC2CCN(CC=C(C)C)CC2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BRQNHKLRGNSRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O3/c1-17(2)6-11-27-12-9-20(10-13-27)26-23(29)18-7-14-28(15-8-18)24(30)21-16-19(25)4-5-22(21)31-3/h4-6,16,18,20H,7-15H2,1-3H3,(H,26,29).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 448.01 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 56569664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).