1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea

C17H34N4O — CID 97212414

IUPAC1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea
SMILESCCC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CCN1C
InChIInChI=1S/C17H34N4O/c1-4-7-14-8-5-6-9-16(14)19-17(22)18-12-15-13-20(2)10-11-21(15)3/h14-16H,4-13H2,1-3H3,(H2,18,19,22)/t14-,15-,16+/m1/s1
InChIKeyHBUVVKZDTONMAD-OAGGEKHMSA-N
MW310.49 g/mol
LogP1.89
Rot. Bonds5

About 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea

1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea (PubChem CID 97212414) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea.

Molecular Properties

Compound Name1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea
PubChem CID97212414
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea
SMILESCCC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CCN1C
InChIInChI=1S/C17H34N4O/c1-4-7-14-8-5-6-9-16(14)19-17(22)18-12-15-13-20(2)10-11-21(15)3/h14-16H,4-13H2,1-3H3,(H2,18,19,22)/t14-,15-,16+/m1/s1
InChIKeyHBUVVKZDTONMAD-OAGGEKHMSA-N
XLogP1.89
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea with MolForge

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Related Compounds

4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66241170
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea
CID 97027382
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea
CID 71976500
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]hexanoic acid
CID 63896583
1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
CID 115620804
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-propylcyclohexyl]cyclopropane-1-carboxamide
CID 124840040
1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]urea
CID 96516481
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71850983

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea?
The IUPAC name of 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea (CID 97212414) is 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea.
What is the SMILES notation for 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea?
The canonical SMILES for 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea is CCC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CCN1C.
What is the InChIKey of 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea?
The InChIKey is HBUVVKZDTONMAD-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H34N4O/c1-4-7-14-8-5-6-9-16(14)19-17(22)18-12-15-13-20(2)10-11-21(15)3/h14-16H,4-13H2,1-3H3,(H2,18,19,22)/t14-,15-,16+/m1/s1.
What are the key properties of 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea?
1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea has a molecular weight of 310.49 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(1S,2R)-2-propylcyclohexyl]urea is sourced from PubChem (CID 97212414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).