1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride

C20H31ClN2O2 — CID 119624500

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
SMILESCOc1cccc(C(C)CC(=O)N2CCC(NCC3CC3)CC2)c1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15(17-4-3-5-19(13-17)24-2)12-20(23)22-10-8-18(9-11-22)21-14-16-6-7-16;/h3-5,13,15-16,18,21H,6-12,14H2,1-2H3;1H
InChIKeyLIFASNAIPLJUCM-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.60
Rot. Bonds7

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride (PubChem CID 119624500) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
PubChem CID119624500
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
SMILESCOc1cccc(C(C)CC(=O)N2CCC(NCC3CC3)CC2)c1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15(17-4-3-5-19(13-17)24-2)12-20(23)22-10-8-18(9-11-22)21-14-16-6-7-16;/h3-5,13,15-16,18,21H,6-12,14H2,1-2H3;1H
InChIKeyLIFASNAIPLJUCM-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
CID 119622481
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[(3-methoxyphenyl)methoxy]propan-1-one;hydrochloride
CID 119623387
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 119623905
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 119595798
(3S)-3-(3-methoxyphenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 97018484
3-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119651265
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(3-fluorophenyl)-2-methylbutane-1,4-dione;hydrochloride
CID 119622521

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride (CID 119624500) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride is COc1cccc(C(C)CC(=O)N2CCC(NCC3CC3)CC2)c1.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride?
The InChIKey is LIFASNAIPLJUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-15(17-4-3-5-19(13-17)24-2)12-20(23)22-10-8-18(9-11-22)21-14-16-6-7-16;/h3-5,13,15-16,18,21H,6-12,14H2,1-2H3;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.60, 7 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]-3-(3-methoxyphenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 119624500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).