N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide

C26H33N3O — CID 118304068

IUPACN-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc([C@@H]2C[C@H]2NCC2CC2)c1
InChIInChI=1S/C26H33N3O/c30-26(28-23-11-13-29(14-12-23)18-20-5-2-1-3-6-20)22-8-4-7-21(15-22)24-16-25(24)27-17-19-9-10-19/h1-8,15,19,23-25,27H,9-14,16-18H2,(H,28,30)/t24-,25+/m0/s1
InChIKeyDUVIMSJTYPTMGI-LOSJGSFVSA-N
MW403.57 g/mol
LogP3.94
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide

N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide (PubChem CID 118304068) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
PubChem CID118304068
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc([C@@H]2C[C@H]2NCC2CC2)c1
InChIInChI=1S/C26H33N3O/c30-26(28-23-11-13-29(14-12-23)18-20-5-2-1-3-6-20)22-8-4-7-21(15-22)24-16-25(24)27-17-19-9-10-19/h1-8,15,19,23-25,27H,9-14,16-18H2,(H,28,30)/t24-,25+/m0/s1
InChIKeyDUVIMSJTYPTMGI-LOSJGSFVSA-N
XLogP3.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304729
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3,3-difluorocyclobutyl)benzamide;2,2,2-trifluoroacetic acid
CID 118304417
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
[3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 118304880
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
4-[[4-[[[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 66571592
N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
CID 174937674
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride
CID 118305065

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide (CID 118304068) is N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc([C@@H]2C[C@H]2NCC2CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide?
The InChIKey is DUVIMSJTYPTMGI-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H33N3O/c30-26(28-23-11-13-29(14-12-23)18-20-5-2-1-3-6-20)22-8-4-7-21(15-22)24-16-25(24)27-17-19-9-10-19/h1-8,15,19,23-25,27H,9-14,16-18H2,(H,28,30)/t24-,25+/m0/s1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide?
N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide has a molecular weight of 403.57 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).