1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea

C17H28N4OS — CID 56781501

IUPAC1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCN(CC2CCCC2)CC1)c1nccs1
InChIInChI=1S/C17H28N4OS/c1-13(16-18-8-11-23-16)19-17(22)20-15-6-9-21(10-7-15)12-14-4-2-3-5-14/h8,11,13-15H,2-7,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyZPYMDMIBRKCKDA-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.16
Rot. Bonds5

About 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 56781501) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID56781501
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCN(CC2CCCC2)CC1)c1nccs1
InChIInChI=1S/C17H28N4OS/c1-13(16-18-8-11-23-16)19-17(22)20-15-6-9-21(10-7-15)12-14-4-2-3-5-14/h8,11,13-15H,2-7,9-10,12H2,1H3,(H2,19,20,22)
InChIKeyZPYMDMIBRKCKDA-UHFFFAOYSA-N
XLogP3.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea (CID 56781501) is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea is CC(NC(=O)NC1CCN(CC2CCCC2)CC1)c1nccs1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is ZPYMDMIBRKCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-13(16-18-8-11-23-16)19-17(22)20-15-6-9-21(10-7-15)12-14-4-2-3-5-14/h8,11,13-15H,2-7,9-10,12H2,1H3,(H2,19,20,22).
What are the key properties of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 336.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 56781501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).