[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea

C14H26N4O2 — CID 62674376

IUPAC[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)CC2CCCNC2)C1
InChIInChI=1S/C14H26N4O2/c15-14(20)17-9-12-4-2-6-18(10-12)13(19)7-11-3-1-5-16-8-11/h11-12,16H,1-10H2,(H3,15,17,20)
InChIKeyOVIALXUAOROXOL-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.28
Rot. Bonds4

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

[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea (PubChem CID 62674376) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea
PubChem CID62674376
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)CC2CCCNC2)C1
InChIInChI=1S/C14H26N4O2/c15-14(20)17-9-12-4-2-6-18(10-12)13(19)7-11-3-1-5-16-8-11/h11-12,16H,1-10H2,(H3,15,17,20)
InChIKeyOVIALXUAOROXOL-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768
[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea
CID 62834194
[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea
CID 54873222
[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
CID 107067784
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
(1-formylpiperidin-3-yl)methylurea
CID 64990728
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 103532971
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238

Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea (CID 62674376) is [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)CC2CCCNC2)C1.
What is the InChIKey of [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea?
The InChIKey is OVIALXUAOROXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c15-14(20)17-9-12-4-2-6-18(10-12)13(19)7-11-3-1-5-16-8-11/h11-12,16H,1-10H2,(H3,15,17,20).
What are the key properties of [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea?
[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea has a molecular weight of 282.39 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 62674376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).