N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C26H28N2O4S — CID 55898962

IUPACN-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H28N2O4S/c1-33(31,32)18-20-13-11-19(12-14-20)16-27-25(29)22-8-5-15-28(17-22)26(30)24-10-4-7-21-6-2-3-9-23(21)24/h2-4,6-7,9-14,22H,5,8,15-18H2,1H3,(H,27,29)
InChIKeyQXBNSGWPFVPTTL-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.55
Rot. Bonds6

About N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 55898962) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID55898962
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC NameN-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H28N2O4S/c1-33(31,32)18-20-13-11-19(12-14-20)16-27-25(29)22-8-5-15-28(17-22)26(30)24-10-4-7-21-6-2-3-9-23(21)24/h2-4,6-7,9-14,22H,5,8,15-18H2,1H3,(H,27,29)
InChIKeyQXBNSGWPFVPTTL-UHFFFAOYSA-N
XLogP3.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
N-(1-(1-phenylethyl)piperidin-4-yl)-2-naphthamide
CID 44426508
N-(1-(4-phenylbutyl)piperidin-4-yl)-2-naphthamide
CID 44426510
N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
CID 2729502
3-methylsulfonyl-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 11455956
N-(2-naphthalen-2-ylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456567
N-(naphthalen-1-ylmethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71460263
N-[3-(4-benzylpiperidin-1-yl)propyl]naphthalene-2-carboxamide
CID 122188503
(4-Ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 770533
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)hexanamide
CID 2852608

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 55898962) is N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CS(=O)(=O)Cc1ccc(CNC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is QXBNSGWPFVPTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-33(31,32)18-20-13-11-19(12-14-20)16-27-25(29)22-8-5-15-28(17-22)26(30)24-10-4-7-21-6-2-3-9-23(21)24/h2-4,6-7,9-14,22H,5,8,15-18H2,1H3,(H,27,29).
What are the key properties of N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55898962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).