1-butan-2-yl-3-piperidin-3-ylurea

C10H21N3O — CID 126971340

IUPAC1-butan-2-yl-3-piperidin-3-ylurea
SMILESCCC(C)NC(=O)NC1CCCNC1
InChIInChI=1S/C10H21N3O/c1-3-8(2)12-10(14)13-9-5-4-6-11-7-9/h8-9,11H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyAAOMODJFBCEWED-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.84
Rot. Bonds3

About 1-butan-2-yl-3-piperidin-3-ylurea

1-butan-2-yl-3-piperidin-3-ylurea (PubChem CID 126971340) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-butan-2-yl-3-piperidin-3-ylurea.

Molecular Properties

Compound Name1-butan-2-yl-3-piperidin-3-ylurea
PubChem CID126971340
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-butan-2-yl-3-piperidin-3-ylurea
SMILESCCC(C)NC(=O)NC1CCCNC1
InChIInChI=1S/C10H21N3O/c1-3-8(2)12-10(14)13-9-5-4-6-11-7-9/h8-9,11H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyAAOMODJFBCEWED-UHFFFAOYSA-N
XLogP0.84
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-3-cyclopropylurea
CID 45366532
N-piperidin-3-ylpropanamide
CID 3520588
(2R)-2-amino-N-piperidin-3-ylbutanamide
CID 131134417
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
1-heptyl-3-piperidin-3-ylurea
CID 142180143
N-butan-2-yl-2-piperidin-3-yloxypropanamide
CID 43117602
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428182
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-piperidin-3-ylurea?
The IUPAC name of 1-butan-2-yl-3-piperidin-3-ylurea (CID 126971340) is 1-butan-2-yl-3-piperidin-3-ylurea.
What is the SMILES notation for 1-butan-2-yl-3-piperidin-3-ylurea?
The canonical SMILES for 1-butan-2-yl-3-piperidin-3-ylurea is CCC(C)NC(=O)NC1CCCNC1.
What is the InChIKey of 1-butan-2-yl-3-piperidin-3-ylurea?
The InChIKey is AAOMODJFBCEWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-8(2)12-10(14)13-9-5-4-6-11-7-9/h8-9,11H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-butan-2-yl-3-piperidin-3-ylurea?
1-butan-2-yl-3-piperidin-3-ylurea has a molecular weight of 199.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-piperidin-3-ylurea is sourced from PubChem (CID 126971340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).