N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide

C22H27N3O3S — CID 93324114

IUPACN-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NC[C@H]2CCCO2)CC1)c1cccs1
InChIInChI=1S/C22H27N3O3S/c26-21(23-15-17-5-3-13-28-17)18-6-1-2-7-19(18)25-11-9-16(10-12-25)24-22(27)20-8-4-14-29-20/h1-2,4,6-8,14,16-17H,3,5,9-13,15H2,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyIIFSXXLKHSKFDC-QGZVFWFLSA-N
MW413.54 g/mol
LogP3.06
Rot. Bonds6

About N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 93324114) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID93324114
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NC[C@H]2CCCO2)CC1)c1cccs1
InChIInChI=1S/C22H27N3O3S/c26-21(23-15-17-5-3-13-28-17)18-6-1-2-7-19(18)25-11-9-16(10-12-25)24-22(27)20-8-4-14-29-20/h1-2,4,6-8,14,16-17H,3,5,9-13,15H2,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyIIFSXXLKHSKFDC-QGZVFWFLSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 46037624
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038581
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93324275
N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012
N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037540
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038584
N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037924
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide
CID 41143724
N-[4-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26725077
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27260860

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide (CID 93324114) is N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2ccccc2C(=O)NC[C@H]2CCCO2)CC1)c1cccs1.
What is the InChIKey of N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is IIFSXXLKHSKFDC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N3O3S/c26-21(23-15-17-5-3-13-28-17)18-6-1-2-7-19(18)25-11-9-16(10-12-25)24-22(27)20-8-4-14-29-20/h1-2,4,6-8,14,16-17H,3,5,9-13,15H2,(H,23,26)(H,24,27)/t17-/m1/s1.
What are the key properties of N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 93324114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).