1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea

C15H26N6O — CID 94099324

IUPAC1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
SMILESC[C@H]1CCCCN1CCNC(=O)NCCNc1cnccn1
InChIInChI=1S/C15H26N6O/c1-13-4-2-3-10-21(13)11-9-20-15(22)19-8-7-18-14-12-16-5-6-17-14/h5-6,12-13H,2-4,7-11H2,1H3,(H,17,18)(H2,19,20,22)/t13-/m0/s1
InChIKeyVKNOBSARZOFLNN-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.06
Rot. Bonds7

About 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea (PubChem CID 94099324) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
PubChem CID94099324
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
SMILESC[C@H]1CCCCN1CCNC(=O)NCCNc1cnccn1
InChIInChI=1S/C15H26N6O/c1-13-4-2-3-10-21(13)11-9-20-15(22)19-8-7-18-14-12-16-5-6-17-14/h5-6,12-13H,2-4,7-11H2,1H3,(H,17,18)(H2,19,20,22)/t13-/m0/s1
InChIKeyVKNOBSARZOFLNN-ZDUSSCGKSA-N
XLogP1.06
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide
CID 38029140
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 71895021
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94030807
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
2-(methylamino)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 119851728
N-[2-(2-methylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 47352688
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94166826
methyl 4-[[2-[(2R)-2-methylpiperidin-1-yl]ethylcarbamoylamino]methyl]benzoate
CID 51957643
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea (CID 94099324) is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea is C[C@H]1CCCCN1CCNC(=O)NCCNc1cnccn1.
What is the InChIKey of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
The InChIKey is VKNOBSARZOFLNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N6O/c1-13-4-2-3-10-21(13)11-9-20-15(22)19-8-7-18-14-12-16-5-6-17-14/h5-6,12-13H,2-4,7-11H2,1H3,(H,17,18)(H2,19,20,22)/t13-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea?
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea has a molecular weight of 306.41 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea is sourced from PubChem (CID 94099324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).