[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea

C13H24N4O2 — CID 54873222

IUPAC[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)CCNC2CC2)C1
InChIInChI=1S/C13H24N4O2/c14-13(19)16-8-10-2-1-7-17(9-10)12(18)5-6-15-11-3-4-11/h10-11,15H,1-9H2,(H3,14,16,19)
InChIKeyRMBRVWVTGCTCKL-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.04
Rot. Bonds6

About [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea

[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea (PubChem CID 54873222) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea
PubChem CID54873222
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)CCNC2CC2)C1
InChIInChI=1S/C13H24N4O2/c14-13(19)16-8-10-2-1-7-17(9-10)12(18)5-6-15-11-3-4-11/h10-11,15H,1-9H2,(H3,14,16,19)
InChIKeyRMBRVWVTGCTCKL-UHFFFAOYSA-N
XLogP0.04
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea
CID 62834194
3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107217060
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea
CID 62674376
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
(1-formylpiperidin-3-yl)methylurea
CID 64990728
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea
CID 82765009
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102

Frequently Asked Questions

What is the IUPAC name of [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea?
The IUPAC name of [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea (CID 54873222) is [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea.
What is the SMILES notation for [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea?
The canonical SMILES for [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)CCNC2CC2)C1.
What is the InChIKey of [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea?
The InChIKey is RMBRVWVTGCTCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-13(19)16-8-10-2-1-7-17(9-10)12(18)5-6-15-11-3-4-11/h10-11,15H,1-9H2,(H3,14,16,19).
What are the key properties of [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea?
[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea has a molecular weight of 268.36 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea is sourced from PubChem (CID 54873222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).