1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea

C16H30N4O — CID 97186218

IUPAC1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
SMILESC[C@H](CNC(=O)NC1CCN(C2CC2)CC1)N(C)C1CC1
InChIInChI=1S/C16H30N4O/c1-12(19(2)14-3-4-14)11-17-16(21)18-13-7-9-20(10-8-13)15-5-6-15/h12-15H,3-11H2,1-2H3,(H2,17,18,21)/t12-/m1/s1
InChIKeyOSQJQCFMHFHPBR-GFCCVEGCSA-N
MW294.44 g/mol
LogP1.40
Rot. Bonds6

About 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea

1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea (PubChem CID 97186218) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
PubChem CID97186218
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
SMILESC[C@H](CNC(=O)NC1CCN(C2CC2)CC1)N(C)C1CC1
InChIInChI=1S/C16H30N4O/c1-12(19(2)14-3-4-14)11-17-16(21)18-13-7-9-20(10-8-13)15-5-6-15/h12-15H,3-11H2,1-2H3,(H2,17,18,21)/t12-/m1/s1
InChIKeyOSQJQCFMHFHPBR-GFCCVEGCSA-N
XLogP1.40
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111751536
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
CID 111104304
1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
CID 103752966
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069360
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea
CID 111338463
5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 82014997
1-(1-cyclopropylpiperidin-4-yl)-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 86994951
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319313
N-(1-cyclopropylpiperidin-4-yl)-2-ethoxyacetamide
CID 60730874
1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450416
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 111121133
2-(4-aminopiperidin-1-yl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814367

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The IUPAC name of 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea (CID 97186218) is 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea is C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)N(C)C1CC1.
What is the InChIKey of 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The InChIKey is OSQJQCFMHFHPBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(19(2)14-3-4-14)11-17-16(21)18-13-7-9-20(10-8-13)15-5-6-15/h12-15H,3-11H2,1-2H3,(H2,17,18,21)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea has a molecular weight of 294.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea is sourced from PubChem (CID 97186218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).