(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide

C18H28N2OS — CID 94820546

IUPAC(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESC[C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1
InChIInChI=1S/C18H28N2OS/c1-14(16-4-5-16)11-18(21)19-12-15-6-8-20(9-7-15)13-17-3-2-10-22-17/h2-3,10,14-16H,4-9,11-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyLVLRQKWZMJNZAB-CQSZACIVSA-N
MW320.50 g/mol
LogP3.51
Rot. Bonds7

About (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide

(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide (PubChem CID 94820546) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
PubChem CID94820546
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESC[C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1
InChIInChI=1S/C18H28N2OS/c1-14(16-4-5-16)11-18(21)19-12-15-6-8-20(9-7-15)13-17-3-2-10-22-17/h2-3,10,14-16H,4-9,11-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyLVLRQKWZMJNZAB-CQSZACIVSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide with MolForge

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Related Compounds

4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide
CID 49133501
(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 95149836
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896261
2-(4-propoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056925

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide (CID 94820546) is (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide is C[C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1.
What is the InChIKey of (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is LVLRQKWZMJNZAB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-14(16-4-5-16)11-18(21)19-12-15-6-8-20(9-7-15)13-17-3-2-10-22-17/h2-3,10,14-16H,4-9,11-13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 320.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 94820546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).