1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea

C14H23N3OS — CID 126813877

IUPAC1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea
SMILESCC(C)N(C)C(=O)NC1CCN(c2cccs2)CC1
InChIInChI=1S/C14H23N3OS/c1-11(2)16(3)14(18)15-12-6-8-17(9-7-12)13-5-4-10-19-13/h4-5,10-12H,6-9H2,1-3H3,(H,15,18)
InChIKeyBAHGWRLQUUQNOW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.77
Rot. Bonds3

About 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea

1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea (PubChem CID 126813877) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea
PubChem CID126813877
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea
SMILESCC(C)N(C)C(=O)NC1CCN(c2cccs2)CC1
InChIInChI=1S/C14H23N3OS/c1-11(2)16(3)14(18)15-12-6-8-17(9-7-12)13-5-4-10-19-13/h4-5,10-12H,6-9H2,1-3H3,(H,15,18)
InChIKeyBAHGWRLQUUQNOW-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine
CID 115876746
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(1-thiophen-2-ylpiperidin-4-yl)urea
CID 167907703
N,N-dimethyl-2-[[(2-thiophen-2-ylethylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110045684
1-methyl-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94125224
N,N-dimethyl-2-[[(1,2,3,4-tetrahydronaphthalen-2-ylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110045658
1-methyl-1-propan-2-yl-3-thiophen-2-ylurea
CID 131131659
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 110045645
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 110045631
ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide
CID 143235359
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide
CID 126785518

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea (CID 126813877) is 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea is CC(C)N(C)C(=O)NC1CCN(c2cccs2)CC1.
What is the InChIKey of 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea?
The InChIKey is BAHGWRLQUUQNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11(2)16(3)14(18)15-12-6-8-17(9-7-12)13-5-4-10-19-13/h4-5,10-12H,6-9H2,1-3H3,(H,15,18).
What are the key properties of 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea?
1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea has a molecular weight of 281.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 126813877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).