[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea

C14H26N4O2 — CID 107067784

IUPAC[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
SMILESCC1CCCNC1C(=O)N1CCCC(CNC(N)=O)C1
InChIInChI=1S/C14H26N4O2/c1-10-4-2-6-16-12(10)13(19)18-7-3-5-11(9-18)8-17-14(15)20/h10-12,16H,2-9H2,1H3,(H3,15,17,20)
InChIKeyRXQUJEHGAICBFE-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.28
Rot. Bonds3

About [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea

[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea (PubChem CID 107067784) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
PubChem CID107067784
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
SMILESCC1CCCNC1C(=O)N1CCCC(CNC(N)=O)C1
InChIInChI=1S/C14H26N4O2/c1-10-4-2-6-16-12(10)13(19)18-7-3-5-11(9-18)8-17-14(15)20/h10-12,16H,2-9H2,1H3,(H3,15,17,20)
InChIKeyRXQUJEHGAICBFE-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea
CID 62674376
3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 102779251
(3-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62340471
N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 120929380
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
[3-(dimethylamino)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 55224694
(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 63620867
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea
CID 66265033

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea (CID 107067784) is [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea is CC1CCCNC1C(=O)N1CCCC(CNC(N)=O)C1.
What is the InChIKey of [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea?
The InChIKey is RXQUJEHGAICBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10-4-2-6-16-12(10)13(19)18-7-3-5-11(9-18)8-17-14(15)20/h10-12,16H,2-9H2,1H3,(H3,15,17,20).
What are the key properties of [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea?
[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea has a molecular weight of 282.39 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 107067784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).