N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide

C17H27N3O3S — CID 99788864

IUPACN-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESC[C@H]1CN(C(=O)CCNC(=O)c2cccs2)CCN1CC(C)(C)O
InChIInChI=1S/C17H27N3O3S/c1-13-11-19(8-9-20(13)12-17(2,3)23)15(21)6-7-18-16(22)14-5-4-10-24-14/h4-5,10,13,23H,6-9,11-12H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyRWOBRSHZUOGKEW-ZDUSSCGKSA-N
MW353.49 g/mol
LogP1.17
Rot. Bonds6

About N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 99788864) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID99788864
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESC[C@H]1CN(C(=O)CCNC(=O)c2cccs2)CCN1CC(C)(C)O
InChIInChI=1S/C17H27N3O3S/c1-13-11-19(8-9-20(13)12-17(2,3)23)15(21)6-7-18-16(22)14-5-4-10-24-14/h4-5,10,13,23H,6-9,11-12H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyRWOBRSHZUOGKEW-ZDUSSCGKSA-N
XLogP1.17
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[3-[(3R)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788863
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride
CID 120998048
6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 122083803
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 49407863
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 18104395

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide (CID 99788864) is N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide is C[C@H]1CN(C(=O)CCNC(=O)c2cccs2)CCN1CC(C)(C)O.
What is the InChIKey of N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is RWOBRSHZUOGKEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-11-19(8-9-20(13)12-17(2,3)23)15(21)6-7-18-16(22)14-5-4-10-24-14/h4-5,10,13,23H,6-9,11-12H2,1-3H3,(H,18,22)/t13-/m0/s1.
What are the key properties of N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 99788864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).