1-(2-piperidin-1-ylpropyl)-3-propylurea

C12H25N3O — CID 115589371

IUPAC1-(2-piperidin-1-ylpropyl)-3-propylurea
SMILESCCCNC(=O)NCC(C)N1CCCCC1
InChIInChI=1S/C12H25N3O/c1-3-7-13-12(16)14-10-11(2)15-8-5-4-6-9-15/h11H,3-10H2,1-2H3,(H2,13,14,16)
InChIKeyRTPCGQJLHULHLX-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.57
Rot. Bonds5

About 1-(2-piperidin-1-ylpropyl)-3-propylurea

1-(2-piperidin-1-ylpropyl)-3-propylurea (PubChem CID 115589371) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylpropyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylpropyl)-3-propylurea
PubChem CID115589371
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(2-piperidin-1-ylpropyl)-3-propylurea
SMILESCCCNC(=O)NCC(C)N1CCCCC1
InChIInChI=1S/C12H25N3O/c1-3-7-13-12(16)14-10-11(2)15-8-5-4-6-9-15/h11H,3-10H2,1-2H3,(H2,13,14,16)
InChIKeyRTPCGQJLHULHLX-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
2-pyrrolidin-1-ylpropylurea
CID 112728366
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
CID 103159150
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
1-(2-imidazol-1-ylethyl)-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
CID 95133465
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107570261
1-(2-hydroxypropyl)-3-propylurea
CID 12876542
2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
CID 61173580

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylpropyl)-3-propylurea?
The IUPAC name of 1-(2-piperidin-1-ylpropyl)-3-propylurea (CID 115589371) is 1-(2-piperidin-1-ylpropyl)-3-propylurea.
What is the SMILES notation for 1-(2-piperidin-1-ylpropyl)-3-propylurea?
The canonical SMILES for 1-(2-piperidin-1-ylpropyl)-3-propylurea is CCCNC(=O)NCC(C)N1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylpropyl)-3-propylurea?
The InChIKey is RTPCGQJLHULHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-7-13-12(16)14-10-11(2)15-8-5-4-6-9-15/h11H,3-10H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(2-piperidin-1-ylpropyl)-3-propylurea?
1-(2-piperidin-1-ylpropyl)-3-propylurea has a molecular weight of 227.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylpropyl)-3-propylurea is sourced from PubChem (CID 115589371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).