[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea

C15H22N6OS — CID 29087479

IUPAC[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea
SMILESNC(=O)NCc1cn(CC2CCN(Cc3ccsc3)CC2)nn1
InChIInChI=1S/C15H22N6OS/c16-15(22)17-7-14-10-21(19-18-14)9-12-1-4-20(5-2-12)8-13-3-6-23-11-13/h3,6,10-12H,1-2,4-5,7-9H2,(H3,16,17,22)
InChIKeyCFNZHVFQNMHNPB-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.42
Rot. Bonds6

About [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea

[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea (PubChem CID 29087479) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea.

Molecular Properties

Compound Name[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea
PubChem CID29087479
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea
SMILESNC(=O)NCc1cn(CC2CCN(Cc3ccsc3)CC2)nn1
InChIInChI=1S/C15H22N6OS/c16-15(22)17-7-14-10-21(19-18-14)9-12-1-4-20(5-2-12)8-13-3-6-23-11-13/h3,6,10-12H,1-2,4-5,7-9H2,(H3,16,17,22)
InChIKeyCFNZHVFQNMHNPB-UHFFFAOYSA-N
XLogP1.42
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine bis(trifluoroacetate)
CID 29029926
3-{[4-(1-amino-1-ethylpropyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 45221934
[1-[[1-(Thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea;2,2,2-trifluoroacetic acid
CID 154885867
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-[(4-cyclopropyltriazol-1-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 31259100
N-{[1-({1-[(5-methyl-2-thienyl)methyl]-3-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methyl}urea
CID 45249682
N-isopropyl-1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazole-4-carboxamide
CID 26324564
N-cyclopentyl-1-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 26362245
N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 26362247
N-methyl-1-(1-{[1-(3-thienylcarbonyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanamine trifluoroacetate
CID 28854595
[1-[[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methylurea
CID 29182026
[1-[[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methylurea
CID 29182028

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea?
The IUPAC name of [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea (CID 29087479) is [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea.
What is the SMILES notation for [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea?
The canonical SMILES for [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea is NC(=O)NCc1cn(CC2CCN(Cc3ccsc3)CC2)nn1.
What is the InChIKey of [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea?
The InChIKey is CFNZHVFQNMHNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c16-15(22)17-7-14-10-21(19-18-14)9-12-1-4-20(5-2-12)8-13-3-6-23-11-13/h3,6,10-12H,1-2,4-5,7-9H2,(H3,16,17,22).
What are the key properties of [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea?
[1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea has a molecular weight of 334.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]methylurea is sourced from PubChem (CID 29087479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).