N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide

C30H42N2O2 — CID 57115077

IUPACN-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESCCCCCCCCC(C)CN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C30H42N2O2/c1-3-4-5-6-7-8-13-23(2)22-32-20-18-24(19-21-32)31-30(33)29-25-14-9-11-16-27(25)34-28-17-12-10-15-26(28)29/h9-12,14-17,23-24,29H,3-8,13,18-22H2,1-2H3,(H,31,33)
InChIKeyYWAPAJUVVXKHHZ-UHFFFAOYSA-N
MW462.68 g/mol
LogP6.89
Rot. Bonds11

About N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide

N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (PubChem CID 57115077) has the molecular formula C30H42N2O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
PubChem CID57115077
Molecular FormulaC30H42N2O2
Molecular Weight462.68 g/mol
Exact Mass462.32
IUPAC NameN-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESCCCCCCCCC(C)CN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C30H42N2O2/c1-3-4-5-6-7-8-13-23(2)22-32-20-18-24(19-21-32)31-30(33)29-25-14-9-11-16-27(25)34-28-17-12-10-15-26(28)29/h9-12,14-17,23-24,29H,3-8,13,18-22H2,1-2H3,(H,31,33)
InChIKeyYWAPAJUVVXKHHZ-UHFFFAOYSA-N
XLogP6.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 56.89
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

N-[1-(3-oxoundecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
CID 57244164
N-cyclohexyl-9H-xanthene-9-carboxamide
CID 718107
(1-butylpyrrolidin-3-yl) 9H-xanthene-9-carboxylate;hydrochloride
CID 21149950
methyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate
CID 23283036
N-(1-cyclooctyl-1-ethylpiperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide
CID 101004267
2-(9H-xanthene-9-carbonylamino)pentanoic acid
CID 120534631
N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide
CID 55903636
N-(1-cyclooctyl-1-methylpiperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide
CID 101004268
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide
CID 121144632
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
CID 94100172
(2S)-2-(9H-xanthen-9-yl)octanal
CID 88882141

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (CID 57115077) is N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is CCCCCCCCC(C)CN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The InChIKey is YWAPAJUVVXKHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O2/c1-3-4-5-6-7-8-13-23(2)22-32-20-18-24(19-21-32)31-30(33)29-25-14-9-11-16-27(25)34-28-17-12-10-15-26(28)29/h9-12,14-17,23-24,29H,3-8,13,18-22H2,1-2H3,(H,31,33).
What are the key properties of N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide has a molecular weight of 462.68 g/mol, XLogP of 6.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 57115077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).