1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

C15H29N3O2 — CID 97261349

IUPAC1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESC[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H29N3O2/c1-12(13-6-8-17(2)9-7-13)18(3)15(19)16-11-14-5-4-10-20-14/h12-14H,4-11H2,1-3H3,(H,16,19)/t12-,14-/m1/s1
InChIKeyHATHGFYMQLXGHK-TZMCWYRMSA-N
MW283.42 g/mol
LogP1.54
Rot. Bonds4

About 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 97261349) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID97261349
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESC[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H29N3O2/c1-12(13-6-8-17(2)9-7-13)18(3)15(19)16-11-14-5-4-10-20-14/h12-14H,4-11H2,1-3H3,(H,16,19)/t12-,14-/m1/s1
InChIKeyHATHGFYMQLXGHK-TZMCWYRMSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95759807
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea
CID 40641442
1-methyl-1-(1-methyl-2-oxoazepan-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 167909733
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
1-[(2S)-butan-2-yl]-1-methyl-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 97313125
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7437265
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 97261349) is 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is HATHGFYMQLXGHK-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(13-6-8-17(2)9-7-13)18(3)15(19)16-11-14-5-4-10-20-14/h12-14H,4-11H2,1-3H3,(H,16,19)/t12-,14-/m1/s1.
What are the key properties of 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 283.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 97261349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).