N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide

C16H29N3O — CID 70289513

IUPACN-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2C=CCCC2)CC1C
InChIInChI=1S/C16H29N3O/c1-14-12-18(13-16-6-4-3-5-7-16)10-11-19(14)9-8-17-15(2)20/h4,6,14,16H,3,5,7-13H2,1-2H3,(H,17,20)
InChIKeyHCSGAQSBTLRQNF-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide

N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide (PubChem CID 70289513) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide
PubChem CID70289513
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2C=CCCC2)CC1C
InChIInChI=1S/C16H29N3O/c1-14-12-18(13-16-6-4-3-5-7-16)10-11-19(14)9-8-17-15(2)20/h4,6,14,16H,3,5,7-13H2,1-2H3,(H,17,20)
InChIKeyHCSGAQSBTLRQNF-UHFFFAOYSA-N
XLogP1.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
1'-(3-cyclohexen-1-ylmethyl)-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 16192096
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886602
N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 7317644
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 51970034
N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide
CID 95124833
N-[2-[4-[(2-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 70287945
N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 70289362
N-[1-(cyclohexylmethyl)-3-piperidinyl]-4-pentenamide
CID 45197328
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 45841236
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 45841244
N-[3-(1-cyclohex-2-en-1-yl-1,2,3,6-tetrahydropyridin-4-yl)propyl]acetamide
CID 50954112

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide (CID 70289513) is N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CC2C=CCCC2)CC1C.
What is the InChIKey of N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide?
The InChIKey is HCSGAQSBTLRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-14-12-18(13-16-6-4-3-5-7-16)10-11-19(14)9-8-17-15(2)20/h4,6,14,16H,3,5,7-13H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide?
N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide has a molecular weight of 279.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohex-2-en-1-ylmethyl)-2-methylpiperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70289513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).