[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone

C16H29N3O3 — CID 139515838

IUPAC[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCC(O)C2)CC1
InChIInChI=1S/C16H29N3O3/c1-22-12-16(11-17-13-2-3-13)5-8-18(9-6-16)15(21)19-7-4-14(20)10-19/h13-14,17,20H,2-12H2,1H3
InChIKeyUHXOOLBCZBWEET-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.65
Rot. Bonds5

About [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 139515838) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID139515838
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCC(O)C2)CC1
InChIInChI=1S/C16H29N3O3/c1-22-12-16(11-17-13-2-3-13)5-8-18(9-6-16)15(21)19-7-4-14(20)10-19/h13-14,17,20H,2-12H2,1H3
InChIKeyUHXOOLBCZBWEET-UHFFFAOYSA-N
XLogP0.65
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 139515814
[(3R)-3-hydroxypiperidin-1-yl]-[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290787
(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123698897
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
CID 103802384
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120887186
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
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
benzyl 1-[[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 145259527
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
2-(cyclopentylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 94896155
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485

Frequently Asked Questions

What is the IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 139515838) is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone is COCC1(CNC2CC2)CCN(C(=O)N2CCC(O)C2)CC1.
What is the InChIKey of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is UHXOOLBCZBWEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-22-12-16(11-17-13-2-3-13)5-8-18(9-6-16)15(21)19-7-4-14(20)10-19/h13-14,17,20H,2-12H2,1H3.
What are the key properties of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 0.65, 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]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 139515838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).