1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

C21H25N3O2S — CID 78901666

IUPAC1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCSc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1
InChIInChI=1S/C21H25N3O2S/c1-27-19-7-5-17(6-8-19)21(26)23-18-4-2-3-15(13-18)14-24-11-9-16(10-12-24)20(22)25/h2-8,13,16H,9-12,14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyZARLCIDCVCTNDC-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.36
Rot. Bonds6

About 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 78901666) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID78901666
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCSc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1
InChIInChI=1S/C21H25N3O2S/c1-27-19-7-5-17(6-8-19)21(26)23-18-4-2-3-15(13-18)14-24-11-9-16(10-12-24)20(22)25/h2-8,13,16H,9-12,14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyZARLCIDCVCTNDC-UHFFFAOYSA-N
XLogP3.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
1-[[3-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768192
1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858769
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55801465
1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954
1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 119853084
1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide (CID 78901666) is 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide is CSc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1.
What is the InChIKey of 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZARLCIDCVCTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-27-19-7-5-17(6-8-19)21(26)23-18-4-2-3-15(13-18)14-24-11-9-16(10-12-24)20(22)25/h2-8,13,16H,9-12,14H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 78901666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).