4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide

C17H29N3O2 — CID 124859696

IUPAC4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H29N3O2/c1-12-4-3-5-15(13(12)2)18-17(22)20-10-8-19(9-11-20)16(21)14-6-7-14/h12-15H,3-11H2,1-2H3,(H,18,22)/t12-,13+,15-/m1/s1
InChIKeyHZFYKCJLJWWMGF-VNHYZAJKSA-N
MW307.44 g/mol
LogP2.07
Rot. Bonds2

About 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide

4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide (PubChem CID 124859696) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
PubChem CID124859696
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H29N3O2/c1-12-4-3-5-15(13(12)2)18-17(22)20-10-8-19(9-11-20)16(21)14-6-7-14/h12-15H,3-11H2,1-2H3,(H,18,22)/t12-,13+,15-/m1/s1
InChIKeyHZFYKCJLJWWMGF-VNHYZAJKSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide (CID 124859696) is 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide is C[C@H]1[C@H](C)CCC[C@H]1NC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide?
The InChIKey is HZFYKCJLJWWMGF-VNHYZAJKSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12-4-3-5-15(13(12)2)18-17(22)20-10-8-19(9-11-20)16(21)14-6-7-14/h12-15H,3-11H2,1-2H3,(H,18,22)/t12-,13+,15-/m1/s1.
What are the key properties of 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide is sourced from PubChem (CID 124859696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).