(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone

C14H26N2O — CID 120817727

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCC(N)C(C)(C)C2)CCCC1
InChIInChI=1S/C14H26N2O/c1-13(2)10-16(9-6-11(13)15)12(17)14(3)7-4-5-8-14/h11H,4-10,15H2,1-3H3
InChIKeyWXHLCDWVDNNGQB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone (PubChem CID 120817727) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
PubChem CID120817727
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCC(N)C(C)(C)C2)CCCC1
InChIInChI=1S/C14H26N2O/c1-13(2)10-16(9-6-11(13)15)12(17)14(3)7-4-5-8-14/h11H,4-10,15H2,1-3H3
InChIKeyWXHLCDWVDNNGQB-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(1-ethylcyclopentyl)methanone
CID 120814044
[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methylpiperidin-1-yl]-phenylmethanone
CID 120819831
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120820176
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone
CID 120818548
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride
CID 120816629
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 120820032
(4-aminopiperidin-1-yl)-(1-methylcyclopropyl)methanone;hydrochloride
CID 166001469
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylcyclopentyl)methanone;hydrochloride
CID 119520786

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone (CID 120817727) is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone is CC1(C(=O)N2CCC(N)C(C)(C)C2)CCCC1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone?
The InChIKey is WXHLCDWVDNNGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)10-16(9-6-11(13)15)12(17)14(3)7-4-5-8-14/h11H,4-10,15H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.15, 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)-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 120817727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).