4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide

C13H21N3O2 — CID 23935457

IUPAC4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H21N3O2/c17-12(11-3-4-11)15-5-7-16(8-6-15)13(18)14-9-10-1-2-10/h10-11H,1-9H2,(H,14,18)
InChIKeyRYBHBMSIBIRUTQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.66
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide

4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide (PubChem CID 23935457) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
PubChem CID23935457
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H21N3O2/c17-12(11-3-4-11)15-5-7-16(8-6-15)13(18)14-9-10-1-2-10/h10-11H,1-9H2,(H,14,18)
InChIKeyRYBHBMSIBIRUTQ-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide (CID 23935457) is 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide is O=C(NCC1CC1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide?
The InChIKey is RYBHBMSIBIRUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-12(11-3-4-11)15-5-7-16(8-6-15)13(18)14-9-10-1-2-10/h10-11H,1-9H2,(H,14,18).
What are the key properties of 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide?
4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 23935457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).