1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea

C19H35N3O2 — CID 78891727

IUPAC1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
SMILESCC1CC(C)CN(CCCNC(=O)N(CC2CCOC2)C2CC2)C1
InChIInChI=1S/C19H35N3O2/c1-15-10-16(2)12-21(11-15)8-3-7-20-19(23)22(18-4-5-18)13-17-6-9-24-14-17/h15-18H,3-14H2,1-2H3,(H,20,23)
InChIKeyZSELKTRLXCSONG-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.56
Rot. Bonds7

About 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 78891727) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID78891727
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
SMILESCC1CC(C)CN(CCCNC(=O)N(CC2CCOC2)C2CC2)C1
InChIInChI=1S/C19H35N3O2/c1-15-10-16(2)12-21(11-15)8-3-7-20-19(23)22(18-4-5-18)13-17-6-9-24-14-17/h15-18H,3-14H2,1-2H3,(H,20,23)
InChIKeyZSELKTRLXCSONG-UHFFFAOYSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate
CID 100763040
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385730
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94124059
3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397601
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335
N-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-N-(oxolan-3-ylmethyl)acetamide
CID 91915386
(2S,5R)-5-(aminomethyl)-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798325
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
2-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 110875799

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea (CID 78891727) is 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea is CC1CC(C)CN(CCCNC(=O)N(CC2CCOC2)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is ZSELKTRLXCSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15-10-16(2)12-21(11-15)8-3-7-20-19(23)22(18-4-5-18)13-17-6-9-24-14-17/h15-18H,3-14H2,1-2H3,(H,20,23).
What are the key properties of 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 337.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 78891727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).