1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide

C19H33N3O2 — CID 119720592

IUPAC1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C19H33N3O2/c1-2-3-4-9-21-18(23)13-7-10-22(11-8-13)19(24)16-14-5-6-15(12-14)17(16)20/h13-17H,2-12,20H2,1H3,(H,21,23)
InChIKeyHGNCHCIHKIIIDK-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.90
Rot. Bonds6

About 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide

1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide (PubChem CID 119720592) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
PubChem CID119720592
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C19H33N3O2/c1-2-3-4-9-21-18(23)13-7-10-22(11-8-13)19(24)16-14-5-6-15(12-14)17(16)20/h13-17H,2-12,20H2,1H3,(H,21,23)
InChIKeyHGNCHCIHKIIIDK-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119702855
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
3-amino-N-(4-ethoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722400
3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119885437
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide (CID 119720592) is 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1.
What is the InChIKey of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide?
The InChIKey is HGNCHCIHKIIIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-2-3-4-9-21-18(23)13-7-10-22(11-8-13)19(24)16-14-5-6-15(12-14)17(16)20/h13-17H,2-12,20H2,1H3,(H,21,23).
What are the key properties of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide?
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 119720592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).