N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide

C24H28N2O3 — CID 95097896

IUPACN-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
SMILESCc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1
InChIInChI=1S/C24H28N2O3/c1-17-4-6-20(7-5-17)24(28)26-14-2-3-18(15-26)16-29-22-12-8-19(9-13-22)23(27)25-21-10-11-21/h4-9,12-13,18,21H,2-3,10-11,14-16H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyQBUJEPVORBRFIU-GOSISDBHSA-N
MW392.50 g/mol
LogP3.82
Rot. Bonds6

About N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 95097896) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
PubChem CID95097896
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
SMILESCc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1
InChIInChI=1S/C24H28N2O3/c1-17-4-6-20(7-5-17)24(28)26-14-2-3-18(15-26)16-29-22-12-8-19(9-13-22)23(27)25-21-10-11-21/h4-9,12-13,18,21H,2-3,10-11,14-16H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyQBUJEPVORBRFIU-GOSISDBHSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 53150228
N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097835
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
N-cyclopropyl-4-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097851
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584
N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92900980
4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 95097845
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide (CID 95097896) is N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide is Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is QBUJEPVORBRFIU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17-4-6-20(7-5-17)24(28)26-14-2-3-18(15-26)16-29-22-12-8-19(9-13-22)23(27)25-21-10-11-21/h4-9,12-13,18,21H,2-3,10-11,14-16H2,1H3,(H,25,27)/t18-/m1/s1.
What are the key properties of N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 95097896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).