(4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone

C16H16N4O — CID 151106510

IUPAC(4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone
SMILES[N-]=[N+]=NC1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H16N4O/c17-19-18-15-7-9-20(10-8-15)16(21)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,15H,7-10H2
InChIKeyMPFIDXOXCGOJOZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.75
Rot. Bonds2

About (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone

(4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone (PubChem CID 151106510) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone
PubChem CID151106510
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name(4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone
SMILES[N-]=[N+]=NC1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H16N4O/c17-19-18-15-7-9-20(10-8-15)16(21)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,15H,7-10H2
InChIKeyMPFIDXOXCGOJOZ-UHFFFAOYSA-N
XLogP3.75
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 155977046
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 30102573
(3-chloro-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102961716
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
[(3S,4S)-3,4-diazidopiperidin-1-yl]-phenylmethanone
CID 22871569
(3-bromo-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102962324
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-naphthalen-2-ylmethanone
CID 121191882
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone
CID 140969221

Frequently Asked Questions

What is the IUPAC name of (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone (CID 151106510) is (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone is [N-]=[N+]=NC1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is MPFIDXOXCGOJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-19-18-15-7-9-20(10-8-15)16(21)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,15H,7-10H2.
What are the key properties of (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone?
(4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 280.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 151106510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).