1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea

C19H30N4O2 — CID 75386726

IUPAC1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCC(c1ccncc1)N1CCC(NC(=O)NC2(CCO)CCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-15(16-3-10-20-11-4-16)23-12-5-17(6-13-23)21-18(25)22-19(9-14-24)7-2-8-19/h3-4,10-11,15,17,24H,2,5-9,12-14H2,1H3,(H2,21,22,25)
InChIKeyAARKITCEDWYDRJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.21
Rot. Bonds6

About 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea

1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea (PubChem CID 75386726) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
PubChem CID75386726
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCC(c1ccncc1)N1CCC(NC(=O)NC2(CCO)CCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-15(16-3-10-20-11-4-16)23-12-5-17(6-13-23)21-18(25)22-19(9-14-24)7-2-8-19/h3-4,10-11,15,17,24H,2,5-9,12-14H2,1H3,(H2,21,22,25)
InChIKeyAARKITCEDWYDRJ-UHFFFAOYSA-N
XLogP2.21
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 126793193
1-methyl-1-(2-methylprop-2-enyl)-3-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]urea
CID 124615698
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955109
N-propyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860638
3-(5-methyl-1,2-oxazol-3-yl)-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]propanamide
CID 167941273
(2R,5S)-2,5-dimethyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]morpholine-4-carboxamide
CID 124777293
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 167954900
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 124591472
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea (CID 75386726) is 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea is CC(c1ccncc1)N1CCC(NC(=O)NC2(CCO)CCC2)CC1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The InChIKey is AARKITCEDWYDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(16-3-10-20-11-4-16)23-12-5-17(6-13-23)21-18(25)22-19(9-14-24)7-2-8-19/h3-4,10-11,15,17,24H,2,5-9,12-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea has a molecular weight of 346.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 75386726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).