cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide

C29H35N3O3 — CID 166076255

IUPACcyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide
SMILESCOCc1ccc(OC2C=C(C=C3CCN(C(N)=O)CC3)C=CC2)nc1.c1ccc(C2CC2)cc1
InChIInChI=1S/C20H25N3O3.C9H10/c1-25-14-17-5-6-19(22-13-17)26-18-4-2-3-16(12-18)11-15-7-9-23(10-8-15)20(21)24;1-2-4-8(5-3-1)9-6-7-9/h2-3,5-6,11-13,18H,4,7-10,14H2,1H3,(H2,21,24);1-5,9H,6-7H2
InChIKeyYYKIUSLHNISNFK-UHFFFAOYSA-N
MW473.62 g/mol
LogP5.53
Rot. Bonds6

About cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide

cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide (PubChem CID 166076255) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Namecyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide
PubChem CID166076255
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Namecyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide
SMILESCOCc1ccc(OC2C=C(C=C3CCN(C(N)=O)CC3)C=CC2)nc1.c1ccc(C2CC2)cc1
InChIInChI=1S/C20H25N3O3.C9H10/c1-25-14-17-5-6-19(22-13-17)26-18-4-2-3-16(12-18)11-15-7-9-23(10-8-15)20(21)24;1-2-4-8(5-3-1)9-6-7-9/h2-3,5-6,11-13,18H,4,7-10,14H2,1H3,(H2,21,24);1-5,9H,6-7H2
InChIKeyYYKIUSLHNISNFK-UHFFFAOYSA-N
XLogP5.53
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide?
The IUPAC name of cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide (CID 166076255) is cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide is COCc1ccc(OC2C=C(C=C3CCN(C(N)=O)CC3)C=CC2)nc1.c1ccc(C2CC2)cc1.
What is the InChIKey of cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide?
The InChIKey is YYKIUSLHNISNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.C9H10/c1-25-14-17-5-6-19(22-13-17)26-18-4-2-3-16(12-18)11-15-7-9-23(10-8-15)20(21)24;1-2-4-8(5-3-1)9-6-7-9/h2-3,5-6,11-13,18H,4,7-10,14H2,1H3,(H2,21,24);1-5,9H,6-7H2.
What are the key properties of cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide?
cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylbenzene;4-[[3-[[5-(methoxymethyl)-2-pyridinyl]oxy]cyclohexa-1,5-dien-1-yl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 166076255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).