oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium

C15H23N4O2+ — CID 140907563

IUPACoxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium
SMILESCCCN1CCC(NC(=O)Nc2ccc([NH+]=O)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-2-9-19-10-7-13(8-11-19)17-15(20)16-12-3-5-14(18-21)6-4-12/h3-6,13H,2,7-11H2,1H3,(H2,16,17,20)/p+1
InChIKeyRULIOEGSNFRKHM-UHFFFAOYSA-O
MW291.37 g/mol
LogP1.16
Rot. Bonds5

About oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium

oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium (PubChem CID 140907563) has the molecular formula C15H23N4O2+ and a molecular weight of 291.37 g/mol. Its IUPAC name is oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium.

Molecular Properties

Compound Nameoxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium
PubChem CID140907563
Molecular FormulaC15H23N4O2+
Molecular Weight291.37 g/mol
Exact Mass291.18
IUPAC Nameoxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium
SMILESCCCN1CCC(NC(=O)Nc2ccc([NH+]=O)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-2-9-19-10-7-13(8-11-19)17-15(20)16-12-3-5-14(18-21)6-4-12/h3-6,13H,2,7-11H2,1H3,(H2,16,17,20)/p+1
InChIKeyRULIOEGSNFRKHM-UHFFFAOYSA-O
XLogP1.16
TPSA75.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-propylpiperidin-4-yl)urea
CID 56794708
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 78832230
N-(4-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695712
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
CID 119890827
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584

Frequently Asked Questions

What is the IUPAC name of oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium?
The IUPAC name of oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium (CID 140907563) is oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium.
What is the SMILES notation for oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium?
The canonical SMILES for oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium is CCCN1CCC(NC(=O)Nc2ccc([NH+]=O)cc2)CC1.
What is the InChIKey of oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium?
The InChIKey is RULIOEGSNFRKHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N4O2/c1-2-9-19-10-7-13(8-11-19)17-15(20)16-12-3-5-14(18-21)6-4-12/h3-6,13H,2,7-11H2,1H3,(H2,16,17,20)/p+1.
What are the key properties of oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium?
oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium has a molecular weight of 291.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium is sourced from PubChem (CID 140907563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).