N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide

C22H33N3O3S — CID 42458414

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)Cc3cccs3)CC2)CC1
InChIInChI=1S/C22H33N3O3S/c26-21(15-20-4-2-14-29-20)25-11-7-18(8-12-25)24-9-5-17(6-10-24)22(27)23-16-19-3-1-13-28-19/h2,4,14,17-19H,1,3,5-13,15-16H2,(H,23,27)/t19-/m1/s1
InChIKeyFYJFATYSVQQOQS-LJQANCHMSA-N
MW419.59 g/mol
LogP2.29
Rot. Bonds6

About N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42458414) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42458414
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)Cc3cccs3)CC2)CC1
InChIInChI=1S/C22H33N3O3S/c26-21(15-20-4-2-14-29-20)25-11-7-18(8-12-25)24-9-5-17(6-10-24)22(27)23-16-19-3-1-13-28-19/h2,4,14,17-19H,1,3,5-13,15-16H2,(H,23,27)/t19-/m1/s1
InChIKeyFYJFATYSVQQOQS-LJQANCHMSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide
CID 30869368
1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003393
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3483438
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42881406
N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113003575
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 28734925
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
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-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42458414) is N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide is O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)Cc3cccs3)CC2)CC1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is FYJFATYSVQQOQS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33N3O3S/c26-21(15-20-4-2-14-29-20)25-11-7-18(8-12-25)24-9-5-17(6-10-24)22(27)23-16-19-3-1-13-28-19/h2,4,14,17-19H,1,3,5-13,15-16H2,(H,23,27)/t19-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42458414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).