3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide

C19H26N4O4 — CID 70720977

IUPAC3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)C2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C19H26N4O4/c1-27-16-7-3-2-6-15(16)18(25)22-11-9-21(10-12-22)17(24)14-5-4-8-23(13-14)19(20)26/h2-3,6-7,14H,4-5,8-13H2,1H3,(H2,20,26)
InChIKeyWAERPRFICRWTPM-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.77
Rot. Bonds3

About 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide

3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 70720977) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID70720977
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)C2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C19H26N4O4/c1-27-16-7-3-2-6-15(16)18(25)22-11-9-21(10-12-22)17(24)14-5-4-8-23(13-14)19(20)26/h2-3,6-7,14H,4-5,8-13H2,1H3,(H2,20,26)
InChIKeyWAERPRFICRWTPM-UHFFFAOYSA-N
XLogP0.77
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 94096909
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide (CID 70720977) is 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide is COc1ccccc1C(=O)N1CCN(C(=O)C2CCCN(C(N)=O)C2)CC1.
What is the InChIKey of 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is WAERPRFICRWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-27-16-7-3-2-6-15(16)18(25)22-11-9-21(10-12-22)17(24)14-5-4-8-23(13-14)19(20)26/h2-3,6-7,14H,4-5,8-13H2,1H3,(H2,20,26).
What are the key properties of 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 70720977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).