[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone

C17H31N3O3 — CID 139515814

IUPAC[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C17H31N3O3/c1-23-13-17(12-18-14-2-3-14)6-10-20(11-7-17)16(22)19-8-4-15(21)5-9-19/h14-15,18,21H,2-13H2,1H3
InChIKeyVCJAJVSBMDWUEO-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.04
Rot. Bonds5

About [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 139515814) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID139515814
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C17H31N3O3/c1-23-13-17(12-18-14-2-3-14)6-10-20(11-7-17)16(22)19-8-4-15(21)5-9-19/h14-15,18,21H,2-13H2,1H3
InChIKeyVCJAJVSBMDWUEO-UHFFFAOYSA-N
XLogP1.04
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone 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

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 139515838
(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123698897
[(3R)-3-hydroxypiperidin-1-yl]-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290787
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
CID 103802384
4-(methoxymethyl)-4-[[(1-methylpiperidin-4-yl)amino]methyl]cyclopentane-1,2-diol
CID 163037539
[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 118290857
benzyl 1-[[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 145259527
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120887186
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
CID 113293617
[4-(methoxymethyl)-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 149261967

Frequently Asked Questions

What is the IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 139515814) is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone is COCC1(CNC2CC2)CCN(C(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is VCJAJVSBMDWUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-23-13-17(12-18-14-2-3-14)6-10-20(11-7-17)16(22)19-8-4-15(21)5-9-19/h14-15,18,21H,2-13H2,1H3.
What are the key properties of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 325.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 139515814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).