N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide

C21H31N3O2 — CID 97200837

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
SMILESO=C(CCNC(=O)c1ccc([C@H]2CCCNC2)cc1)NC1CCCCC1
InChIInChI=1S/C21H31N3O2/c25-20(24-19-6-2-1-3-7-19)12-14-23-21(26)17-10-8-16(9-11-17)18-5-4-13-22-15-18/h8-11,18-19,22H,1-7,12-15H2,(H,23,26)(H,24,25)/t18-/m0/s1
InChIKeyIORBJAXJXIAFFT-SFHVURJKSA-N
MW357.50 g/mol
LogP2.72
Rot. Bonds6

About N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide

N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide (PubChem CID 97200837) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
PubChem CID97200837
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
SMILESO=C(CCNC(=O)c1ccc([C@H]2CCCNC2)cc1)NC1CCCCC1
InChIInChI=1S/C21H31N3O2/c25-20(24-19-6-2-1-3-7-19)12-14-23-21(26)17-10-8-16(9-11-17)18-5-4-13-22-15-18/h8-11,18-19,22H,1-7,12-15H2,(H,23,26)(H,24,25)/t18-/m0/s1
InChIKeyIORBJAXJXIAFFT-SFHVURJKSA-N
XLogP2.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
CID 119426239
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide (CID 97200837) is N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide is O=C(CCNC(=O)c1ccc([C@H]2CCCNC2)cc1)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is IORBJAXJXIAFFT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(24-19-6-2-1-3-7-19)12-14-23-21(26)17-10-8-16(9-11-17)18-5-4-13-22-15-18/h8-11,18-19,22H,1-7,12-15H2,(H,23,26)(H,24,25)/t18-/m0/s1.
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 357.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97200837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).