4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide

C15H28N4O — CID 108913928

IUPAC4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(CCN)CC1)C1CCCC1
InChIInChI=1S/C15H28N4O/c1-13(14-4-2-3-5-14)12-17-15(20)19-10-8-18(7-6-16)9-11-19/h12,14H,2-11,16H2,1H3,(H,17,20)/b13-12+
InChIKeyADQDPXRYRVAHMT-OUKQBFOZSA-N
MW280.42 g/mol
LogP1.37
Rot. Bonds4

About 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide

4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide (PubChem CID 108913928) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide
PubChem CID108913928
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(CCN)CC1)C1CCCC1
InChIInChI=1S/C15H28N4O/c1-13(14-4-2-3-5-14)12-17-15(20)19-10-8-18(7-6-16)9-11-19/h12,14H,2-11,16H2,1H3,(H,17,20)/b13-12+
InChIKeyADQDPXRYRVAHMT-OUKQBFOZSA-N
XLogP1.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
N-[(E)-2-cyclopentylprop-1-enyl]-4-methylpiperidine-1-carboxamide
CID 108913842
N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide
CID 108915415
N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914108
ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate
CID 108915450
4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 82508126
4-(2-aminoethyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 43252387
1-(2-chloroethyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913903
2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
CID 108517344
1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915421
N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108915580
4-(2-aminoethyl)-N-[(E)-2-(2-fluorophenyl)ethenyl]piperazine-1-carboxamide
CID 108904315

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide (CID 108913928) is 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(CCN)CC1)C1CCCC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide?
The InChIKey is ADQDPXRYRVAHMT-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H28N4O/c1-13(14-4-2-3-5-14)12-17-15(20)19-10-8-18(7-6-16)9-11-19/h12,14H,2-11,16H2,1H3,(H,17,20)/b13-12+.
What are the key properties of 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide?
4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 108913928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).