3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide

C19H28N4O2 — CID 56802993

IUPAC3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide
SMILESC=C(C)CN1CCC(NC(=O)NCCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(2)13-23-10-7-17(8-11-23)22-19(25)21-9-6-15-4-3-5-16(12-15)18(20)24/h3-5,12,17H,1,6-11,13H2,2H3,(H2,20,24)(H2,21,22,25)
InChIKeySIYFAZWKVUZVDM-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.67
Rot. Bonds7

About 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide

3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide (PubChem CID 56802993) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide
PubChem CID56802993
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide
SMILESC=C(C)CN1CCC(NC(=O)NCCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(2)13-23-10-7-17(8-11-23)22-19(25)21-9-6-15-4-3-5-16(12-15)18(20)24/h3-5,12,17H,1,6-11,13H2,2H3,(H2,20,24)(H2,21,22,25)
InChIKeySIYFAZWKVUZVDM-UHFFFAOYSA-N
XLogP1.67
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide
CID 75370045
3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
CID 95303687
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 60602821
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
3-[2-(oxan-3-ylcarbamoylamino)ethyl]benzoic acid
CID 63793356
3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide
CID 138034860
3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide
CID 75419884
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
2-[3-[[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]methyl]phenoxy]acetamide
CID 111994933
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide?
The IUPAC name of 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide (CID 56802993) is 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide?
The canonical SMILES for 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide is C=C(C)CN1CCC(NC(=O)NCCc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide?
The InChIKey is SIYFAZWKVUZVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)13-23-10-7-17(8-11-23)22-19(25)21-9-6-15-4-3-5-16(12-15)18(20)24/h3-5,12,17H,1,6-11,13H2,2H3,(H2,20,24)(H2,21,22,25).
What are the key properties of 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide?
3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 56802993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).