N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide

C18H29N3OS — CID 70708646

IUPACN-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc(CN3CCCC3)cs2)CC1
InChIInChI=1S/C18H29N3OS/c1-15(22)19-11-16-4-8-21(9-5-16)13-18-10-17(14-23-18)12-20-6-2-3-7-20/h10,14,16H,2-9,11-13H2,1H3,(H,19,22)
InChIKeyYIRLLZALCABLJO-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.69
Rot. Bonds6

About N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 70708646) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
PubChem CID70708646
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC NameN-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc(CN3CCCC3)cs2)CC1
InChIInChI=1S/C18H29N3OS/c1-15(22)19-11-16-4-8-21(9-5-16)13-18-10-17(14-23-18)12-20-6-2-3-7-20/h10,14,16H,2-9,11-13H2,1H3,(H,19,22)
InChIKeyYIRLLZALCABLJO-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56722804
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103728195
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 70737977
N-[[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736984
1-[(3R,4S)-4-hydroxy-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134709129
ethyl 4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45228014
N-[[8-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxane-4-carboxamide
CID 45168325
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 70741175
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide (CID 70708646) is N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cc(CN3CCCC3)cs2)CC1.
What is the InChIKey of N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is YIRLLZALCABLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-15(22)19-11-16-4-8-21(9-5-16)13-18-10-17(14-23-18)12-20-6-2-3-7-20/h10,14,16H,2-9,11-13H2,1H3,(H,19,22).
What are the key properties of N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 335.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70708646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).