[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride

C14H27ClN2O — CID 119492357

IUPAC[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2CCCC(NC)C2)CCC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-7-14(8-5-9-14)13(17)16-10-4-6-12(11-16)15-2;/h12,15H,3-11H2,1-2H3;1H
InChIKeyWULWGLJWPUHZRN-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.59
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride (PubChem CID 119492357) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
PubChem CID119492357
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2CCCC(NC)C2)CCC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-7-14(8-5-9-14)13(17)16-10-4-6-12(11-16)15-2;/h12,15H,3-11H2,1-2H3;1H
InChIKeyWULWGLJWPUHZRN-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119934487
[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119412481
(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
CID 119380695
[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119465050
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119545957
[3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
CID 119492953
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride (CID 119492357) is [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride is CCCC1(C(=O)N2CCCC(NC)C2)CCC1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride?
The InChIKey is WULWGLJWPUHZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-3-7-14(8-5-9-14)13(17)16-10-4-6-12(11-16)15-2;/h12,15H,3-11H2,1-2H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 119492357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).