cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone

C19H31NO2 — CID 145107755

IUPACcyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone
SMILESC=C/C=C(\CCC)OCCCN1CCC(C(=O)C2CC2)CC1
InChIInChI=1S/C19H31NO2/c1-3-6-18(7-4-2)22-15-5-12-20-13-10-17(11-14-20)19(21)16-8-9-16/h3,6,16-17H,1,4-5,7-15H2,2H3/b18-6+
InChIKeyJVDVJNHCPWYTLO-NGYBGAFCSA-N
MW305.46 g/mol
LogP3.95
Rot. Bonds10

About cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone

cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone (PubChem CID 145107755) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone
PubChem CID145107755
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Namecyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone
SMILESC=C/C=C(\CCC)OCCCN1CCC(C(=O)C2CC2)CC1
InChIInChI=1S/C19H31NO2/c1-3-6-18(7-4-2)22-15-5-12-20-13-10-17(11-14-20)19(21)16-8-9-16/h3,6,16-17H,1,4-5,7-15H2,2H3/b18-6+
InChIKeyJVDVJNHCPWYTLO-NGYBGAFCSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
methyl 1-(2-butoxyethyl)piperidine-4-carboxylate
CID 61067326
1-octadecylpiperidine-4-carboxamide
CID 4134920
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-propylpiperidine-4-carboxamide
CID 18678413
ethyl 1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidine-4-carboxylate
CID 89450106
3-(4-methylpiperazin-1-yl)propyl propanoate
CID 70867774
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
CID 177020946
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone?
The IUPAC name of cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone (CID 145107755) is cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone is C=C/C=C(\CCC)OCCCN1CCC(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone?
The InChIKey is JVDVJNHCPWYTLO-NGYBGAFCSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-6-18(7-4-2)22-15-5-12-20-13-10-17(11-14-20)19(21)16-8-9-16/h3,6,16-17H,1,4-5,7-15H2,2H3/b18-6+.
What are the key properties of cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone?
cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone has a molecular weight of 305.46 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[3-[(3E)-hepta-1,3-dien-4-yl]oxypropyl]piperidin-4-yl]methanone is sourced from PubChem (CID 145107755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).