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

C13H24N4O2 — CID 119765949

IUPAC[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
SMILESNC(=O)NCC1CCCCN1C(=O)CC1CCCN1
InChIInChI=1S/C13H24N4O2/c14-13(19)16-9-11-5-1-2-7-17(11)12(18)8-10-4-3-6-15-10/h10-11,15H,1-9H2,(H3,14,16,19)
InChIKeyZPNQEXKHXRXJDB-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.18
Rot. Bonds4

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

[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea (PubChem CID 119765949) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
PubChem CID119765949
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
SMILESNC(=O)NCC1CCCCN1C(=O)CC1CCCN1
InChIInChI=1S/C13H24N4O2/c14-13(19)16-9-11-5-1-2-7-17(11)12(18)8-10-4-3-6-15-10/h10-11,15H,1-9H2,(H3,14,16,19)
InChIKeyZPNQEXKHXRXJDB-UHFFFAOYSA-N
XLogP0.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride
CID 119728830
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107218090
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone
CID 61409850
1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119757583
[(2R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-2-yl]methylurea
CID 95298528
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337
[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
CID 119313333
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
CID 124593040
1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
N-carbamoyl-2-pyrrolidin-2-ylacetamide
CID 79195265
1-(2-methylpiperidin-1-yl)-2-piperidin-2-ylethanone
CID 43151335

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea?
The IUPAC name of [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea (CID 119765949) is [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea.
What is the SMILES notation for [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea?
The canonical SMILES for [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea is NC(=O)NCC1CCCCN1C(=O)CC1CCCN1.
What is the InChIKey of [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea?
The InChIKey is ZPNQEXKHXRXJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-13(19)16-9-11-5-1-2-7-17(11)12(18)8-10-4-3-6-15-10/h10-11,15H,1-9H2,(H3,14,16,19).
What are the key properties of [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea?
[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea has a molecular weight of 268.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea is sourced from PubChem (CID 119765949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).