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

C26H30N2O3 — CID 95097877

IUPACN-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OC[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C26H30N2O3/c29-24(27-22-10-11-22)20-8-12-23(13-9-20)31-18-19-5-4-16-28(17-19)25(30)26(14-15-26)21-6-2-1-3-7-21/h1-3,6-9,12-13,19,22H,4-5,10-11,14-18H2,(H,27,29)/t19-/m0/s1
InChIKeyAHFSTTIDFOSLIA-IBGZPJMESA-N
MW418.54 g/mol
LogP3.93
Rot. Bonds7

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

N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 95097877) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide
PubChem CID95097877
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OC[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C26H30N2O3/c29-24(27-22-10-11-22)20-8-12-23(13-9-20)31-18-19-5-4-16-28(17-19)25(30)26(14-15-26)21-6-2-1-3-7-21/h1-3,6-9,12-13,19,22H,4-5,10-11,14-18H2,(H,27,29)/t19-/m0/s1
InChIKeyAHFSTTIDFOSLIA-IBGZPJMESA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
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-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 95097828
N-cyclopropyl-4-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097851
tris(1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(phenoxymethyl)piperidine);[1-(4-chlorophenyl)cyclobutyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 161196249
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 124701646
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
4-[[(3R)-1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 95097845

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide (CID 95097877) is N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide is O=C(NC1CC1)c1ccc(OC[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is AHFSTTIDFOSLIA-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N2O3/c29-24(27-22-10-11-22)20-8-12-23(13-9-20)31-18-19-5-4-16-28(17-19)25(30)26(14-15-26)21-6-2-1-3-7-21/h1-3,6-9,12-13,19,22H,4-5,10-11,14-18H2,(H,27,29)/t19-/m0/s1.
What are the key properties of N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 418.54 g/mol, XLogP of 3.93, 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-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 95097877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).