1-heptyl-3-piperidin-3-ylurea

C13H27N3O — CID 142180143

IUPAC1-heptyl-3-piperidin-3-ylurea
SMILESCCCCCCCNC(=O)NC1CCCNC1
InChIInChI=1S/C13H27N3O/c1-2-3-4-5-6-10-15-13(17)16-12-8-7-9-14-11-12/h12,14H,2-11H2,1H3,(H2,15,16,17)
InChIKeyKEBILPJULBYZTN-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.01
Rot. Bonds7

About 1-heptyl-3-piperidin-3-ylurea

1-heptyl-3-piperidin-3-ylurea (PubChem CID 142180143) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-heptyl-3-piperidin-3-ylurea.

Molecular Properties

Compound Name1-heptyl-3-piperidin-3-ylurea
PubChem CID142180143
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-heptyl-3-piperidin-3-ylurea
SMILESCCCCCCCNC(=O)NC1CCCNC1
InChIInChI=1S/C13H27N3O/c1-2-3-4-5-6-10-15-13(17)16-12-8-7-9-14-11-12/h12,14H,2-11H2,1H3,(H2,15,16,17)
InChIKeyKEBILPJULBYZTN-UHFFFAOYSA-N
XLogP2.01
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
CID 119425673
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-piperidin-3-ylurea
CID 117235825
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
1-butyl-3-(1-piperidin-3-ylethyl)urea
CID 43523386
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-piperidin-3-ylpropanamide
CID 3520588
4-(hexylamino)-N-[(3R)-pyrrolidin-3-yl]cycloheptane-1-carboxamide
CID 166956046
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
1-butan-2-yl-3-piperidin-3-ylurea
CID 126971340
N-(azepan-4-yl)dodecanamide
CID 105060891

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-piperidin-3-ylurea?
The IUPAC name of 1-heptyl-3-piperidin-3-ylurea (CID 142180143) is 1-heptyl-3-piperidin-3-ylurea.
What is the SMILES notation for 1-heptyl-3-piperidin-3-ylurea?
The canonical SMILES for 1-heptyl-3-piperidin-3-ylurea is CCCCCCCNC(=O)NC1CCCNC1.
What is the InChIKey of 1-heptyl-3-piperidin-3-ylurea?
The InChIKey is KEBILPJULBYZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-3-4-5-6-10-15-13(17)16-12-8-7-9-14-11-12/h12,14H,2-11H2,1H3,(H2,15,16,17).
What are the key properties of 1-heptyl-3-piperidin-3-ylurea?
1-heptyl-3-piperidin-3-ylurea has a molecular weight of 241.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-piperidin-3-ylurea is sourced from PubChem (CID 142180143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).