1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

C14H23N3O2S — CID 49280156

IUPAC1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
SMILESO=C(NCCO)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C14H23N3O2S/c18-7-5-15-14(19)16-9-12-3-1-6-17(10-12)11-13-4-2-8-20-13/h2,4,8,12,18H,1,3,5-7,9-11H2,(H2,15,16,19)
InChIKeyQYWFGDYIOHZEHG-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.25
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (PubChem CID 49280156) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
PubChem CID49280156
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
SMILESO=C(NCCO)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C14H23N3O2S/c18-7-5-15-14(19)16-9-12-3-1-6-17(10-12)11-13-4-2-8-20-13/h2,4,8,12,18H,1,3,5-7,9-11H2,(H2,15,16,19)
InChIKeyQYWFGDYIOHZEHG-UHFFFAOYSA-N
XLogP1.25
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
1-(1-hydroxybutan-2-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 110910670
1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 60605733
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
1-[(6-methoxy-3-pyridinyl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 52511041
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 94819206
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865366
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (CID 49280156) is 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is O=C(NCCO)NCC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The InChIKey is QYWFGDYIOHZEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c18-7-5-15-14(19)16-9-12-3-1-6-17(10-12)11-13-4-2-8-20-13/h2,4,8,12,18H,1,3,5-7,9-11H2,(H2,15,16,19).
What are the key properties of 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea has a molecular weight of 297.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is sourced from PubChem (CID 49280156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).