[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea

C13H24N4O2 — CID 124593040

IUPAC[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
SMILESNC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H24N4O2/c14-13(19)16-9-11-5-1-2-7-17(11)12(18)10-4-3-6-15-8-10/h10-11,15H,1-9H2,(H3,14,16,19)/t10-,11+/m0/s1
InChIKeyALJPWPHQKGKCFV-WDEREUQCSA-N
MW268.36 g/mol
LogP0.04
Rot. Bonds3

About [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea

[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea (PubChem CID 124593040) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
PubChem CID124593040
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
SMILESNC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H24N4O2/c14-13(19)16-9-11-5-1-2-7-17(11)12(18)10-4-3-6-15-8-10/h10-11,15H,1-9H2,(H3,14,16,19)/t10-,11+/m0/s1
InChIKeyALJPWPHQKGKCFV-WDEREUQCSA-N
XLogP0.04
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
CID 119313333
[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 119765929
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308483
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
CID 119765949
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-2-yl]methylurea
CID 120929984

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea?
The IUPAC name of [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea (CID 124593040) is [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea.
What is the SMILES notation for [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea?
The canonical SMILES for [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea is NC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCCNC1.
What is the InChIKey of [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea?
The InChIKey is ALJPWPHQKGKCFV-WDEREUQCSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-13(19)16-9-11-5-1-2-7-17(11)12(18)10-4-3-6-15-8-10/h10-11,15H,1-9H2,(H3,14,16,19)/t10-,11+/m0/s1.
What are the key properties of [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea?
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea has a molecular weight of 268.36 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea is sourced from PubChem (CID 124593040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).