N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide

C18H26N2O3S — CID 55714823

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)C3CCS(=O)(=O)C3)cc2)C1
InChIInChI=1S/C18H26N2O3S/c1-14-3-2-9-20(11-14)12-15-4-6-17(7-5-15)19-18(21)16-8-10-24(22,23)13-16/h4-7,14,16H,2-3,8-13H2,1H3,(H,19,21)
InChIKeySERGCMWVWARNIK-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.29
Rot. Bonds4

About N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 55714823) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID55714823
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)C3CCS(=O)(=O)C3)cc2)C1
InChIInChI=1S/C18H26N2O3S/c1-14-3-2-9-20(11-14)12-15-4-6-17(7-5-15)19-18(21)16-8-10-24(22,23)13-16/h4-7,14,16H,2-3,8-13H2,1H3,(H,19,21)
InChIKeySERGCMWVWARNIK-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide
CID 51953570
(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 167859108
1-(3,5-dimethoxybenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 55798514
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
(2S)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94885506
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119845028
(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
CID 40952898
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide (CID 55714823) is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide is CC1CCCN(Cc2ccc(NC(=O)C3CCS(=O)(=O)C3)cc2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is SERGCMWVWARNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-3-2-9-20(11-14)12-15-4-6-17(7-5-15)19-18(21)16-8-10-24(22,23)13-16/h4-7,14,16H,2-3,8-13H2,1H3,(H,19,21).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 55714823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).