N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide

C26H30N2O2 — CID 66546401

IUPACN,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide
SMILESC=CCN1CCC(=C2c3ccccc3Oc3cc(C(=O)N(CC)CC)ccc32)CC1
InChIInChI=1S/C26H30N2O2/c1-4-15-27-16-13-19(14-17-27)25-21-9-7-8-10-23(21)30-24-18-20(11-12-22(24)25)26(29)28(5-2)6-3/h4,7-12,18H,1,5-6,13-17H2,2-3H3
InChIKeyLBEYAFFVHDCMQY-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.36
Rot. Bonds5

About N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide

N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide (PubChem CID 66546401) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide
PubChem CID66546401
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide
SMILESC=CCN1CCC(=C2c3ccccc3Oc3cc(C(=O)N(CC)CC)ccc32)CC1
InChIInChI=1S/C26H30N2O2/c1-4-15-27-16-13-19(14-17-27)25-21-9-7-8-10-23(21)30-24-18-20(11-12-22(24)25)26(29)28(5-2)6-3/h4,7-12,18H,1,5-6,13-17H2,2-3H3
InChIKeyLBEYAFFVHDCMQY-UHFFFAOYSA-N
XLogP5.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Snc 80
CID 123924
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CID 9948349
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
4-(Spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254503
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
{3-[4-(2-Isopropoxy-phenyl)-piperidin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
CID 10409903
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
N,N-Diethyl-2-hydroxy-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11406708
N,N-Diethyl-4-(6-hydroxyspiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11474838
2-(1-Benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
CID 23465639

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide?
The IUPAC name of N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide (CID 66546401) is N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide?
The canonical SMILES for N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide is C=CCN1CCC(=C2c3ccccc3Oc3cc(C(=O)N(CC)CC)ccc32)CC1.
What is the InChIKey of N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide?
The InChIKey is LBEYAFFVHDCMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-15-27-16-13-19(14-17-27)25-21-9-7-8-10-23(21)30-24-18-20(11-12-22(24)25)26(29)28(5-2)6-3/h4,7-12,18H,1,5-6,13-17H2,2-3H3.
What are the key properties of N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide?
N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide is sourced from PubChem (CID 66546401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).