4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride

C18H32ClN3O2 — CID 154907504

IUPAC4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride
SMILESCl.NC1[C@@H]2CC[C@H]1CN(C(=O)CCC(=O)NC1CCCCCC1)C2
InChIInChI=1S/C18H31N3O2.ClH/c19-18-13-7-8-14(18)12-21(11-13)17(23)10-9-16(22)20-15-5-3-1-2-4-6-15;/h13-15,18H,1-12,19H2,(H,20,22);1H/t13-,14+,18?;
InChIKeyZWNLKDNHHGZUJS-CGQGENKDSA-N
MW357.93 g/mol
LogP2.22
Rot. Bonds4

About 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride

4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride (PubChem CID 154907504) has the molecular formula C18H32ClN3O2 and a molecular weight of 357.93 g/mol. Its IUPAC name is 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride
PubChem CID154907504
Molecular FormulaC18H32ClN3O2
Molecular Weight357.93 g/mol
Exact Mass357.22
IUPAC Name4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride
SMILESCl.NC1[C@@H]2CC[C@H]1CN(C(=O)CCC(=O)NC1CCCCCC1)C2
InChIInChI=1S/C18H31N3O2.ClH/c19-18-13-7-8-14(18)12-21(11-13)17(23)10-9-16(22)20-15-5-3-1-2-4-6-15;/h13-15,18H,1-12,19H2,(H,20,22);1H/t13-,14+,18?;
InChIKeyZWNLKDNHHGZUJS-CGQGENKDSA-N
XLogP2.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(azocan-1-yl)ethanone
CID 122557295
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
3-(azepan-1-yl)-N-cyclohexylpropanamide
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N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
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1-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 120656749
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
CID 82112394
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
N-cyclooctyl-4-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 135105073
N,N'-dicyclopropylbutanediamide
CID 5225156

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride (CID 154907504) is 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride is Cl.NC1[C@@H]2CC[C@H]1CN(C(=O)CCC(=O)NC1CCCCCC1)C2.
What is the InChIKey of 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride?
The InChIKey is ZWNLKDNHHGZUJS-CGQGENKDSA-N. The full InChI is InChI=1S/C18H31N3O2.ClH/c19-18-13-7-8-14(18)12-21(11-13)17(23)10-9-16(22)20-15-5-3-1-2-4-6-15;/h13-15,18H,1-12,19H2,(H,20,22);1H/t13-,14+,18?;.
What are the key properties of 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride?
4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-N-cycloheptyl-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 154907504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).