1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride

C16H32ClN3O — CID 142209070

IUPAC1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride
SMILESCCCNCC(=O)N1CCC(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-3-8-17-13-16(20)19-11-6-15(7-12-19)14-4-9-18(2)10-5-14;/h14-15,17H,3-13H2,1-2H3;1H
InChIKeyVYJAOEGOYRXTJP-UHFFFAOYSA-N
MW317.91 g/mol
LogP1.99
Rot. Bonds5

About 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride

1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride (PubChem CID 142209070) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride
PubChem CID142209070
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride
SMILESCCCNCC(=O)N1CCC(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-3-8-17-13-16(20)19-11-6-15(7-12-19)14-4-9-18(2)10-5-14;/h14-15,17H,3-13H2,1-2H3;1H
InChIKeyVYJAOEGOYRXTJP-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592
1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
CID 62943798
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
CID 82695486
2-(propylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 114536706
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone
CID 63159977
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 28580194
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
CID 60687539
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride (CID 142209070) is 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride is CCCNCC(=O)N1CCC(C2CCN(C)CC2)CC1.Cl.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride?
The InChIKey is VYJAOEGOYRXTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-3-8-17-13-16(20)19-11-6-15(7-12-19)14-4-9-18(2)10-5-14;/h14-15,17H,3-13H2,1-2H3;1H.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride?
1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride is sourced from PubChem (CID 142209070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).