3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C18H35Cl2N3O — CID 119885437

IUPAC3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)NCCCCCN1CCCCC1
InChIInChI=1S/C18H33N3O.2ClH/c19-17-15-8-7-14(13-15)16(17)18(22)20-9-3-1-4-10-21-11-5-2-6-12-21;;/h14-17H,1-13,19H2,(H,20,22);2*1H
InChIKeyUYHNDBMLVKWAAX-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.98
Rot. Bonds7

About 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119885437) has the molecular formula C18H35Cl2N3O and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119885437
Molecular FormulaC18H35Cl2N3O
Molecular Weight380.40 g/mol
Exact Mass379.22
IUPAC Name3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)NCCCCCN1CCCCC1
InChIInChI=1S/C18H33N3O.2ClH/c19-17-15-8-7-14(13-15)16(17)18(22)20-9-3-1-4-10-21-11-5-2-6-12-21;;/h14-17H,1-13,19H2,(H,20,22);2*1H
InChIKeyUYHNDBMLVKWAAX-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.98
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

3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103813669
3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 114158982
3-amino-N-(4-ethoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722400
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103809087
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 119720592
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119834897
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 10589924
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119731702

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119885437) is 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)NCCCCCN1CCCCC1.
What is the InChIKey of 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is UYHNDBMLVKWAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O.2ClH/c19-17-15-8-7-14(13-15)16(17)18(22)20-9-3-1-4-10-21-11-5-2-6-12-21;;/h14-17H,1-13,19H2,(H,20,22);2*1H.
What are the key properties of 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 380.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119885437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).