1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea

C19H29N3O3S — CID 91906197

IUPAC1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea
SMILESCCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H29N3O3S/c1-2-9-20-19(24)22(16-7-12-25-13-8-16)15-5-10-21(11-6-15)18(23)17-4-3-14-26-17/h3-4,14-16H,2,5-13H2,1H3,(H,20,24)
InChIKeyVUMMXMDWIUMERA-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.95
Rot. Bonds5

About 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea

1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea (PubChem CID 91906197) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea
PubChem CID91906197
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea
SMILESCCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H29N3O3S/c1-2-9-20-19(24)22(16-7-12-25-13-8-16)15-5-10-21(11-6-15)18(23)17-4-3-14-26-17/h3-4,14-16H,2,5-13H2,1H3,(H,20,24)
InChIKeyVUMMXMDWIUMERA-UHFFFAOYSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea
CID 91916272
1-cyclopropyl-1-(oxan-4-yl)-3-propylurea
CID 110874794
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
1-(oxan-4-yl)-3-propyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]urea
CID 91916266
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39145647
N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198662
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 93178723
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55406950
ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
CID 10588916
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea (CID 91906197) is 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea is CCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea?
The InChIKey is VUMMXMDWIUMERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-2-9-20-19(24)22(16-7-12-25-13-8-16)15-5-10-21(11-6-15)18(23)17-4-3-14-26-17/h3-4,14-16H,2,5-13H2,1H3,(H,20,24).
What are the key properties of 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea?
1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea has a molecular weight of 379.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-propyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 91906197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).