3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide

C21H23F2N3O4 — CID 30778979

IUPAC3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)ccc1OC(F)F
InChIInChI=1S/C21H23F2N3O4/c1-29-18-12-14(6-8-17(18)30-21(22)23)20(28)25-15-11-13(19(24)27)5-7-16(15)26-9-3-2-4-10-26/h5-8,11-12,21H,2-4,9-10H2,1H3,(H2,24,27)(H,25,28)
InChIKeyYXXMBRIWCIOFOY-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.64
Rot. Bonds7

About 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide

3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide (PubChem CID 30778979) has the molecular formula C21H23F2N3O4 and a molecular weight of 419.43 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
PubChem CID30778979
Molecular FormulaC21H23F2N3O4
Molecular Weight419.43 g/mol
Exact Mass419.17
IUPAC Name3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)ccc1OC(F)F
InChIInChI=1S/C21H23F2N3O4/c1-29-18-12-14(6-8-17(18)30-21(22)23)20(28)25-15-11-13(19(24)27)5-7-16(15)26-9-3-2-4-10-26/h5-8,11-12,21H,2-4,9-10H2,1H3,(H2,24,27)(H,25,28)
InChIKeyYXXMBRIWCIOFOY-UHFFFAOYSA-N
XLogP3.64
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55754662
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26065662
4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide
CID 24614219
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24675902
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 24535249
3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide
CID 55553963
methyl 3-[(3,4-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
CID 7346082
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 55552861

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide (CID 30778979) is 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide is COc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)ccc1OC(F)F.
What is the InChIKey of 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide?
The InChIKey is YXXMBRIWCIOFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O4/c1-29-18-12-14(6-8-17(18)30-21(22)23)20(28)25-15-11-13(19(24)27)5-7-16(15)26-9-3-2-4-10-26/h5-8,11-12,21H,2-4,9-10H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide?
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide has a molecular weight of 419.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 30778979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).