3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide

C14H20N4O2 — CID 43711659

IUPAC3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
SMILESNC(=O)CN1CCC(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C14H20N4O2/c15-11-3-1-2-10(8-11)14(20)17-12-4-6-18(7-5-12)9-13(16)19/h1-3,8,12H,4-7,9,15H2,(H2,16,19)(H,17,20)
InChIKeyQRMSCBPADNATHM-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.05
Rot. Bonds4

About 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide

3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide (PubChem CID 43711659) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
PubChem CID43711659
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
SMILESNC(=O)CN1CCC(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C14H20N4O2/c15-11-3-1-2-10(8-11)14(20)17-12-4-6-18(7-5-12)9-13(16)19/h1-3,8,12H,4-7,9,15H2,(H2,16,19)(H,17,20)
InChIKeyQRMSCBPADNATHM-UHFFFAOYSA-N
XLogP-0.05
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
CID 91779291
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-bromobenzamide
CID 63626811
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide (CID 43711659) is 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide is NC(=O)CN1CCC(NC(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide?
The InChIKey is QRMSCBPADNATHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-11-3-1-2-10(8-11)14(20)17-12-4-6-18(7-5-12)9-13(16)19/h1-3,8,12H,4-7,9,15H2,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide?
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide has a molecular weight of 276.34 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 43711659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).