N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C19H23N3O2S — CID 120574736

IUPACN-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC1NCCCC1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H23N3O2S/c1-13-16(4-2-10-20-13)22-18(23)15-8-6-14(7-9-15)12-21-19(24)17-5-3-11-25-17/h3,5-9,11,13,16,20H,2,4,10,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyHWQSIGNOFGRQKD-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.55
Rot. Bonds5

About N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 120574736) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID120574736
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC1NCCCC1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H23N3O2S/c1-13-16(4-2-10-20-13)22-18(23)15-8-6-14(7-9-15)12-21-19(24)17-5-3-11-25-17/h3,5-9,11,13,16,20H,2,4,10,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyHWQSIGNOFGRQKD-UHFFFAOYSA-N
XLogP2.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[[2-(aminomethyl)cyclopentyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 119603218
N-[[4-[(2-oxoazepan-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 75404259
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120576394
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
(2R,3R)-2-methyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxylic acid
CID 122115454
N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 51130706
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575680
4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
CID 120573277
N-(2-methylpiperidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 120577841
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 120574736) is N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is CC1NCCCC1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is HWQSIGNOFGRQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-16(4-2-10-20-13)22-18(23)15-8-6-14(7-9-15)12-21-19(24)17-5-3-11-25-17/h3,5-9,11,13,16,20H,2,4,10,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 120574736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).