1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea

C16H33N3O — CID 138601292

IUPAC1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea
SMILESCCCCC(CC)N1CCC(NC(=O)NC(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-5-7-8-15(6-2)19-11-9-14(10-12-19)18-16(20)17-13(3)4/h13-15H,5-12H2,1-4H3,(H2,17,18,20)
InChIKeyDELALKPVZMQLIZ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.13
Rot. Bonds7

About 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea

1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea (PubChem CID 138601292) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea
PubChem CID138601292
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea
SMILESCCCCC(CC)N1CCC(NC(=O)NC(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-5-7-8-15(6-2)19-11-9-14(10-12-19)18-16(20)17-13(3)4/h13-15H,5-12H2,1-4H3,(H2,17,18,20)
InChIKeyDELALKPVZMQLIZ-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopentyl-3-octan-4-ylurea
CID 103729065
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
1-heptan-3-ylazetidine
CID 172721722
1-butan-2-yl-3-piperidin-3-ylurea
CID 126971340
2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 42955537
1-heptan-3-ylpiperidine-4-carbonitrile
CID 123605422
1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821926
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
N-cyclopentyl-2-ethylhexanamide
CID 4146053
3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid
CID 65072281
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370

Frequently Asked Questions

What is the IUPAC name of 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea (CID 138601292) is 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea is CCCCC(CC)N1CCC(NC(=O)NC(C)C)CC1.
What is the InChIKey of 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea?
The InChIKey is DELALKPVZMQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-7-8-15(6-2)19-11-9-14(10-12-19)18-16(20)17-13(3)4/h13-15H,5-12H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea?
1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea has a molecular weight of 283.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptan-3-ylpiperidin-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 138601292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).