N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide

C23H30N2O3S — CID 39994391

IUPACN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-18(2)29(27,28)22-9-5-4-8-21(22)23(26)24-16-19-10-12-20(13-11-19)17-25-14-6-3-7-15-25/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H,24,26)
InChIKeyNZUBMPSPXATDMQ-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.78
Rot. Bonds7

About N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide (PubChem CID 39994391) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
PubChem CID39994391
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-18(2)29(27,28)22-9-5-4-8-21(22)23(26)24-16-19-10-12-20(13-11-19)17-25-14-6-3-7-15-25/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H,24,26)
InChIKeyNZUBMPSPXATDMQ-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26953457
N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-ethylsulfonylbenzamide
CID 52628153
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
2-chloro-5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 41311671
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935231
5-(azepan-1-ylsulfonyl)-2-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767784
(2R)-2-(N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015338
5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 110166198

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide (CID 39994391) is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide?
The InChIKey is NZUBMPSPXATDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18(2)29(27,28)22-9-5-4-8-21(22)23(26)24-16-19-10-12-20(13-11-19)17-25-14-6-3-7-15-25/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H,24,26).
What are the key properties of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide?
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide has a molecular weight of 414.57 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 39994391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).