2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide

C35H46N4O3 — CID 70133703

IUPAC2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESNC1CCN(C(=O)c2ccc3c(c2)C(C(=O)NC2CCN(CC4=CCCCCCCC4)CC2)c2ccccc2O3)CC1
InChIInChI=1S/C35H46N4O3/c36-27-15-21-39(22-16-27)35(41)26-13-14-32-30(23-26)33(29-11-7-8-12-31(29)42-32)34(40)37-28-17-19-38(20-18-28)24-25-9-5-3-1-2-4-6-10-25/h7-9,11-14,23,27-28,33H,1-6,10,15-22,24,36H2,(H,37,40)
InChIKeyPKBZKWKZAPAMTN-UHFFFAOYSA-N
MW570.78 g/mol
LogP5.74
Rot. Bonds5

About 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide

2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (PubChem CID 70133703) has the molecular formula C35H46N4O3 and a molecular weight of 570.78 g/mol. Its IUPAC name is 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound Name2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
PubChem CID70133703
Molecular FormulaC35H46N4O3
Molecular Weight570.78 g/mol
Exact Mass570.36
IUPAC Name2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESNC1CCN(C(=O)c2ccc3c(c2)C(C(=O)NC2CCN(CC4=CCCCCCCC4)CC2)c2ccccc2O3)CC1
InChIInChI=1S/C35H46N4O3/c36-27-15-21-39(22-16-27)35(41)26-13-14-32-30(23-26)33(29-11-7-8-12-31(29)42-32)34(40)37-28-17-19-38(20-18-28)24-25-9-5-3-1-2-4-6-10-25/h7-9,11-14,23,27-28,33H,1-6,10,15-22,24,36H2,(H,37,40)
InChIKeyPKBZKWKZAPAMTN-UHFFFAOYSA-N
XLogP5.74
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide with MolForge

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Related Compounds

2-N-(3-aminopropyl)-9-N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-9H-xanthene-2,9-dicarboxamide
CID 139916997
prop-2-enyl N-[9-[[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]carbamoyl]-9H-xanthen-2-yl]carbamate
CID 139917008
N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-2-(piperidin-4-ylcarbamoylamino)-9H-xanthene-9-carboxamide
CID 139917007
methyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate
CID 23283036
1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride
CID 172883218
N-[4-(pyrrolidine-1-carbonyl)phenyl]-9H-xanthene-9-carboxamide
CID 55538263
N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide
CID 23283049
2-N-benzyl-9-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-2,9-dicarboxamide
CID 23283060
N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide
CID 55903636
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
N-[1-(3-oxoundecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
CID 57244164
N-[1-(2-methyldecyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
CID 57115077

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (CID 70133703) is 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is NC1CCN(C(=O)c2ccc3c(c2)C(C(=O)NC2CCN(CC4=CCCCCCCC4)CC2)c2ccccc2O3)CC1.
What is the InChIKey of 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The InChIKey is PKBZKWKZAPAMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N4O3/c36-27-15-21-39(22-16-27)35(41)26-13-14-32-30(23-26)33(29-11-7-8-12-31(29)42-32)34(40)37-28-17-19-38(20-18-28)24-25-9-5-3-1-2-4-6-10-25/h7-9,11-14,23,27-28,33H,1-6,10,15-22,24,36H2,(H,37,40).
What are the key properties of 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide has a molecular weight of 570.78 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 70133703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).