[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride

C18H34ClN3O2 — CID 120638003

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(OCCN3CCCC3)CC2)CCN1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-15-14-16(4-7-19-15)18(22)21-10-5-17(6-11-21)23-13-12-20-8-2-3-9-20;/h15-17,19H,2-14H2,1H3;1H/t15-,16-;/m0./s1
InChIKeyHNPQQAHHMXYADY-MOGJOVFKSA-N
MW359.94 g/mol
LogP1.90
Rot. Bonds5

About [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride

[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120638003) has the molecular formula C18H34ClN3O2 and a molecular weight of 359.94 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride
PubChem CID120638003
Molecular FormulaC18H34ClN3O2
Molecular Weight359.94 g/mol
Exact Mass359.23
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(OCCN3CCCC3)CC2)CCN1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-15-14-16(4-7-19-15)18(22)21-10-5-17(6-11-21)23-13-12-20-8-2-3-9-20;/h15-17,19H,2-14H2,1H3;1H/t15-,16-;/m0./s1
InChIKeyHNPQQAHHMXYADY-MOGJOVFKSA-N
XLogP1.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;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

azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637219
2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride
CID 119895118
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 120636089
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 120631513
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;hydrochloride
CID 120631837
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638514
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
(2S)-2-amino-3,3-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119895096

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride (CID 120638003) is [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride is C[C@H]1C[C@@H](C(=O)N2CCC(OCCN3CCCC3)CC2)CCN1.Cl.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is HNPQQAHHMXYADY-MOGJOVFKSA-N. The full InChI is InChI=1S/C18H33N3O2.ClH/c1-15-14-16(4-7-19-15)18(22)21-10-5-17(6-11-21)23-13-12-20-8-2-3-9-20;/h15-17,19H,2-14H2,1H3;1H/t15-,16-;/m0./s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride?
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120638003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).