(1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone

C19H29N3O — CID 134474737

IUPAC(1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone
SMILESC/C=C\C(=C/CC)CCn1ccnc1C(=O)C1CCN(C)CC1
InChIInChI=1S/C19H29N3O/c1-4-6-16(7-5-2)8-14-22-15-11-20-19(22)18(23)17-9-12-21(3)13-10-17/h4,6-7,11,15,17H,5,8-10,12-14H2,1-3H3/b6-4-,16-7+
InChIKeyRNZMTROIPHSVPS-LRPNAGJPSA-N
MW315.46 g/mol
LogP3.71
Rot. Bonds7

About (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone

(1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone (PubChem CID 134474737) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone
PubChem CID134474737
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone
SMILESC/C=C\C(=C/CC)CCn1ccnc1C(=O)C1CCN(C)CC1
InChIInChI=1S/C19H29N3O/c1-4-6-16(7-5-2)8-14-22-15-11-20-19(22)18(23)17-9-12-21(3)13-10-17/h4,6-7,11,15,17H,5,8-10,12-14H2,1-3H3/b6-4-,16-7+
InChIKeyRNZMTROIPHSVPS-LRPNAGJPSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone (CID 134474737) is (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone is C/C=C\C(=C/CC)CCn1ccnc1C(=O)C1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone?
The InChIKey is RNZMTROIPHSVPS-LRPNAGJPSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-6-16(7-5-2)8-14-22-15-11-20-19(22)18(23)17-9-12-21(3)13-10-17/h4,6-7,11,15,17H,5,8-10,12-14H2,1-3H3/b6-4-,16-7+.
What are the key properties of (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone?
(1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-[1-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]imidazol-2-yl]methanone is sourced from PubChem (CID 134474737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).