N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide

C22H34N4O — CID 171134523

IUPACN-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
SMILESCN1CCCCC1CCNC(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4O/c1-24-14-6-5-11-21(24)12-13-23-22(27)26-18-16-25(17-19-26)15-7-10-20-8-3-2-4-9-20/h2-4,7-10,21H,5-6,11-19H2,1H3,(H,23,27)
InChIKeyVHDNMOGYEZOXPF-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide

N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide (PubChem CID 171134523) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
PubChem CID171134523
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
SMILESCN1CCCCC1CCNC(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4O/c1-24-14-6-5-11-21(24)12-13-23-22(27)26-18-16-25(17-19-26)15-7-10-20-8-3-2-4-9-20/h2-4,7-10,21H,5-6,11-19H2,1H3,(H,23,27)
InChIKeyVHDNMOGYEZOXPF-UHFFFAOYSA-N
XLogP2.90
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126426034
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112969792
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide
CID 110747126
N-[[(2R)-2-methyloxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 124608788
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144322
N-[2-[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111218531
N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112971880
N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 91942292

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide (CID 171134523) is N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide is CN1CCCCC1CCNC(=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The InChIKey is VHDNMOGYEZOXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-24-14-6-5-11-21(24)12-13-23-22(27)26-18-16-25(17-19-26)15-7-10-20-8-3-2-4-9-20/h2-4,7-10,21H,5-6,11-19H2,1H3,(H,23,27).
What are the key properties of N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide is sourced from PubChem (CID 171134523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).