N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide

C19H25N5O — CID 154736193

IUPACN-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NC1CC=CCC1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C19H25N5O/c25-19(21-16-6-2-1-3-7-16)23-12-10-22(11-13-23)14-17-15-24-9-5-4-8-18(24)20-17/h1-2,4-5,8-9,15-16H,3,6-7,10-14H2,(H,21,25)
InChIKeyCXBYYUAQPBLHQH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.27
Rot. Bonds3

About N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide

N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 154736193) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID154736193
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NC1CC=CCC1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C19H25N5O/c25-19(21-16-6-2-1-3-7-16)23-12-10-22(11-13-23)14-17-15-24-9-5-4-8-18(24)20-17/h1-2,4-5,8-9,15-16H,3,6-7,10-14H2,(H,21,25)
InChIKeyCXBYYUAQPBLHQH-UHFFFAOYSA-N
XLogP2.27
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 94468397
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
2-cyclopentyl-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 95176142
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94538557
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837365
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119837382
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119837429
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60820487
3-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120502657
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119837381

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 154736193) is N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(NC1CC=CCC1)N1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is CXBYYUAQPBLHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(21-16-6-2-1-3-7-16)23-12-10-22(11-13-23)14-17-15-24-9-5-4-8-18(24)20-17/h1-2,4-5,8-9,15-16H,3,6-7,10-14H2,(H,21,25).
What are the key properties of N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 154736193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).