(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

C19H28N4OS — CID 97277644

IUPAC(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)NC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H28N4OS/c1-14(2)18-20-8-11-23(18)15(3)19(24)21-16-6-9-22(10-7-16)13-17-5-4-12-25-17/h4-5,8,11-12,14-16H,6-7,9-10,13H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyUOWOTXJONGREKY-OAHLLOKOSA-N
MW360.53 g/mol
LogP3.41
Rot. Bonds6

About (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 97277644) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID97277644
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)NC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H28N4OS/c1-14(2)18-20-8-11-23(18)15(3)19(24)21-16-6-9-22(10-7-16)13-17-5-4-12-25-17/h4-5,8,11-12,14-16H,6-7,9-10,13H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyUOWOTXJONGREKY-OAHLLOKOSA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
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(2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
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(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
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(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 97210714
N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide
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1-(2-ethylphenyl)-3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572362
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
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N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide (CID 97277644) is (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide is CC(C)c1nccn1[C@H](C)C(=O)NC1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is UOWOTXJONGREKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-14(2)18-20-8-11-23(18)15(3)19(24)21-16-6-9-22(10-7-16)13-17-5-4-12-25-17/h4-5,8,11-12,14-16H,6-7,9-10,13H2,1-3H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide?
(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 360.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 97277644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).