1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride

C15H27ClN2O2 — CID 119261129

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CC1CCCO1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H26N2O2.ClH/c18-15(10-14-2-1-9-19-14)17-7-5-13(6-8-17)16-11-12-3-4-12;/h12-14,16H,1-11H2;1H
InChIKeyZOPHXAQDNQFDQD-UHFFFAOYSA-N
MW302.85 g/mol
LogP1.97
Rot. Bonds5

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride (PubChem CID 119261129) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
PubChem CID119261129
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CC1CCCO1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H26N2O2.ClH/c18-15(10-14-2-1-9-19-14)17-7-5-13(6-8-17)16-11-12-3-4-12;/h12-14,16H,1-11H2;1H
InChIKeyZOPHXAQDNQFDQD-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119260620
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160440
2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 79032608
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 119623917
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 79735000
2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95350486
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557372

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride (CID 119261129) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride is Cl.O=C(CC1CCCO1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride?
The InChIKey is ZOPHXAQDNQFDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.ClH/c18-15(10-14-2-1-9-19-14)17-7-5-13(6-8-17)16-11-12-3-4-12;/h12-14,16H,1-11H2;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 119261129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).