9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide

C21H32N4O — CID 120989928

IUPAC9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NC1CCN(Cc3cccnc3)CC1)C2
InChIInChI=1S/C21H32N4O/c22-20-16-4-1-5-17(20)12-18(11-16)21(26)24-19-6-9-25(10-7-19)14-15-3-2-8-23-13-15/h2-3,8,13,16-20H,1,4-7,9-12,14,22H2,(H,24,26)
InChIKeyWJGSVMVWYXUGIB-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.32
Rot. Bonds4

About 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989928) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989928
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NC1CCN(Cc3cccnc3)CC1)C2
InChIInChI=1S/C21H32N4O/c22-20-16-4-1-5-17(20)12-18(11-16)21(26)24-19-6-9-25(10-7-19)14-15-3-2-8-23-13-15/h2-3,8,13,16-20H,1,4-7,9-12,14,22H2,(H,24,26)
InChIKeyWJGSVMVWYXUGIB-UHFFFAOYSA-N
XLogP2.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
1-(3,3-dimethylbutanoyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 136512000
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169
(1S,3R,4R)-3-amino-4-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 155502884
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 10165231
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120989928) is 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NC1CCN(Cc3cccnc3)CC1)C2.
What is the InChIKey of 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is WJGSVMVWYXUGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c22-20-16-4-1-5-17(20)12-18(11-16)21(26)24-19-6-9-25(10-7-19)14-15-3-2-8-23-13-15/h2-3,8,13,16-20H,1,4-7,9-12,14,22H2,(H,24,26).
What are the key properties of 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).