1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea

C19H31N3OS — CID 24732159

IUPAC1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
SMILESCC(C)NC(=O)N(CC1CC1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C19H31N3OS/c1-15(2)20-19(23)22(14-16-5-6-16)17-7-10-21(11-8-17)12-9-18-4-3-13-24-18/h3-4,13,15-17H,5-12,14H2,1-2H3,(H,20,23)
InChIKeyLIEPZKIVAJZNTC-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.59
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea

1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea (PubChem CID 24732159) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
PubChem CID24732159
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
SMILESCC(C)NC(=O)N(CC1CC1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C19H31N3OS/c1-15(2)20-19(23)22(14-16-5-6-16)17-7-10-21(11-8-17)12-9-18-4-3-13-24-18/h3-4,13,15-17H,5-12,14H2,1-2H3,(H,20,23)
InChIKeyLIEPZKIVAJZNTC-UHFFFAOYSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 24732030
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
CID 126437217
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 86876605
N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 24732044
3-(3-fluorophenyl)-1-(pyridin-3-ylmethyl)-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732177
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008824
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905
N-cyclopropyl-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 116654649
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea (CID 24732159) is 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea is CC(C)NC(=O)N(CC1CC1)C1CCN(CCc2cccs2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea?
The InChIKey is LIEPZKIVAJZNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-15(2)20-19(23)22(14-16-5-6-16)17-7-10-21(11-8-17)12-9-18-4-3-13-24-18/h3-4,13,15-17H,5-12,14H2,1-2H3,(H,20,23).
What are the key properties of 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea?
1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea has a molecular weight of 349.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 24732159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).