N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide

C20H27N3O — CID 76869763

IUPACN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C20H27N3O/c1-2-3-4-8-20(24)21-18-6-5-7-19(15-18)23-13-11-22(12-14-23)16-17-9-10-17/h2-8,15,17H,9-14,16H2,1H3,(H,21,24)
InChIKeyUYNRCLUGBXOAAS-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.29
Rot. Bonds6

About N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide (PubChem CID 76869763) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide
PubChem CID76869763
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C20H27N3O/c1-2-3-4-8-20(24)21-18-6-5-7-19(15-18)23-13-11-22(12-14-23)16-17-9-10-17/h2-8,15,17H,9-14,16H2,1H3,(H,21,24)
InChIKeyUYNRCLUGBXOAAS-UHFFFAOYSA-N
XLogP3.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
CID 119902669
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
CID 119902654
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94651264
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide
CID 47072927
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86836840
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 47071599
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
CID 119902667
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
CID 119902655
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide
CID 47487849

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide?
The IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide (CID 76869763) is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide is CC=CC=CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide?
The InChIKey is UYNRCLUGBXOAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-3-4-8-20(24)21-18-6-5-7-19(15-18)23-13-11-22(12-14-23)16-17-9-10-17/h2-8,15,17H,9-14,16H2,1H3,(H,21,24).
What are the key properties of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide?
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide has a molecular weight of 325.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 76869763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).