N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide

C25H32N2O2 — CID 11794863

IUPACN-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide
SMILESCCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C25H32N2O2/c1-2-3-4-9-16-27-17-14-19(15-18-27)26-25(28)24-20-10-5-7-12-22(20)29-23-13-8-6-11-21(23)24/h5-8,10-13,19,24H,2-4,9,14-18H2,1H3,(H,26,28)
InChIKeyZSBQWSHGCMDNMD-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.09
Rot. Bonds7

About N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide

N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide (PubChem CID 11794863) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide
PubChem CID11794863
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide
SMILESCCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C25H32N2O2/c1-2-3-4-9-16-27-17-14-19(15-18-27)26-25(28)24-20-10-5-7-12-22(20)29-23-13-8-6-11-21(23)24/h5-8,10-13,19,24H,2-4,9,14-18H2,1H3,(H,26,28)
InChIKeyZSBQWSHGCMDNMD-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

J-113863, trans-
CID 6918496
J-113863 cation, trans-
CID 6918497
(3R)-1-(3-phenoxypropyl)-3-[(9H-xanthen-9-ylcarbonyl)amino]-1-azoniabicyclo[2.2.2]octane bromide
CID 11678377
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057
N-tert-butyl-9H-xanthene-9-carboxamide
CID 718106
N-(3-methoxypropyl)-9H-xanthene-9-carboxamide
CID 1928115
N-butyl-9H-xanthene-9-carboxamide
CID 1928177
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
CID 2905426
N,N-diethyl-9H-xanthene-9-carboxamide
CID 669620
N-benzyl-9H-xanthene-9-carboxamide
CID 718110
2-[(3S)-3-(aminomethyl)piperidine-1-carbonyl]-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
CID 73755059
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533

Frequently Asked Questions

What is the IUPAC name of N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide (CID 11794863) is N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide is CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide?
The InChIKey is ZSBQWSHGCMDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-3-4-9-16-27-17-14-19(15-18-27)26-25(28)24-20-10-5-7-12-22(20)29-23-13-8-6-11-21(23)24/h5-8,10-13,19,24H,2-4,9,14-18H2,1H3,(H,26,28).
What are the key properties of N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide?
N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexylpiperidin-4-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 11794863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).