(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone

C15H26N2O — CID 120820176

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
SMILESCC1(C)CN(C(=O)C2C3CCCCC32)CCC1N
InChIInChI=1S/C15H26N2O/c1-15(2)9-17(8-7-12(15)16)14(18)13-10-5-3-4-6-11(10)13/h10-13H,3-9,16H2,1-2H3
InChIKeyWSNPZUQCXXELGQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.01
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone (PubChem CID 120820176) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
PubChem CID120820176
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
SMILESCC1(C)CN(C(=O)C2C3CCCCC32)CCC1N
InChIInChI=1S/C15H26N2O/c1-15(2)9-17(8-7-12(15)16)14(18)13-10-5-3-4-6-11(10)13/h10-13H,3-9,16H2,1-2H3
InChIKeyWSNPZUQCXXELGQ-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone with MolForge

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 120820032
(4-amino-3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone
CID 120819844
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 120816794
6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 71923474
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-ethylcyclopentyl)methanone
CID 120814044
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 120815594
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
CID 120819076
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone (CID 120820176) is (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone is CC1(C)CN(C(=O)C2C3CCCCC32)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone?
The InChIKey is WSNPZUQCXXELGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2)9-17(8-7-12(15)16)14(18)13-10-5-3-4-6-11(10)13/h10-13H,3-9,16H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone is sourced from PubChem (CID 120820176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).