N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide

C25H30N2O3 — CID 95097799

IUPACN-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
SMILESCCc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1
InChIInChI=1S/C25H30N2O3/c1-2-18-5-7-21(8-6-18)25(29)27-15-3-4-19(16-27)17-30-23-13-9-20(10-14-23)24(28)26-22-11-12-22/h5-10,13-14,19,22H,2-4,11-12,15-17H2,1H3,(H,26,28)/t19-/m0/s1
InChIKeyGBRCVPCYMZXPCL-IBGZPJMESA-N
MW406.53 g/mol
LogP4.07
Rot. Bonds7

About N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 95097799) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
PubChem CID95097799
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
SMILESCCc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1
InChIInChI=1S/C25H30N2O3/c1-2-18-5-7-21(8-6-18)25(29)27-15-3-4-19(16-27)17-30-23-13-9-20(10-14-23)24(28)26-22-11-12-22/h5-10,13-14,19,22H,2-4,11-12,15-17H2,1H3,(H,26,28)/t19-/m0/s1
InChIKeyGBRCVPCYMZXPCL-IBGZPJMESA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-cyclopropyl-4-[[(3R)-1-(3,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097835
N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 53150228
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-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 95097845
N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92900980
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952
N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 95097828
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide (CID 95097799) is N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide is CCc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is GBRCVPCYMZXPCL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N2O3/c1-2-18-5-7-21(8-6-18)25(29)27-15-3-4-19(16-27)17-30-23-13-9-20(10-14-23)24(28)26-22-11-12-22/h5-10,13-14,19,22H,2-4,11-12,15-17H2,1H3,(H,26,28)/t19-/m0/s1.
What are the key properties of N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 406.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 95097799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).