2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide

C18H27N3OS — CID 3218532

IUPAC2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=S)NCC(C)C)CC1
InChIInChI=1S/C18H27N3OS/c1-13(2)12-19-18(23)21-10-8-15(9-11-21)20-17(22)16-7-5-4-6-14(16)3/h4-7,13,15H,8-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyZRTVWCJPXVWHOR-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide

2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide (PubChem CID 3218532) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
PubChem CID3218532
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=S)NCC(C)C)CC1
InChIInChI=1S/C18H27N3OS/c1-13(2)12-19-18(23)21-10-8-15(9-11-21)20-17(22)16-7-5-4-6-14(16)3/h4-7,13,15H,8-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyZRTVWCJPXVWHOR-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218527
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
CID 43814168
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
N-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
CID 24792304
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119288350
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide (CID 3218532) is 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=S)NCC(C)C)CC1.
What is the InChIKey of 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide?
The InChIKey is ZRTVWCJPXVWHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-13(2)12-19-18(23)21-10-8-15(9-11-21)20-17(22)16-7-5-4-6-14(16)3/h4-7,13,15H,8-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide?
2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide has a molecular weight of 333.50 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 3218532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).