N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide

C14H18N4O5 — CID 60513578

IUPACN-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1
InChIInChI=1S/C14H18N4O5/c1-10(19)15-11-3-2-6-16(7-11)14(21)9-17-8-12(18(22)23)4-5-13(17)20/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,19)
InChIKeyDBVZEVHSBMEFAG-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.12
Rot. Bonds4

About N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide

N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide (PubChem CID 60513578) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide
PubChem CID60513578
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC NameN-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1
InChIInChI=1S/C14H18N4O5/c1-10(19)15-11-3-2-6-16(7-11)14(21)9-17-8-12(18(22)23)4-5-13(17)20/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,19)
InChIKeyDBVZEVHSBMEFAG-UHFFFAOYSA-N
XLogP-0.12
TPSA114.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-1-[2-oxo-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethyl]pyridin-2-one
CID 95344927
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 42928816
1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119356458
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 7467861
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 95775228
N-[(3R)-1-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 97098448
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-nitropyridin-2-one;hydrochloride
CID 119437225
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one
CID 7227422
N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203
N-[(3S)-1-[2-(methoxymethyl)-4-nitrophenyl]piperidin-3-yl]acetamide
CID 97098495
N-[(3R)-1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 100891285
N-[(3R)-1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 124739797

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide (CID 60513578) is N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1.
What is the InChIKey of N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide?
The InChIKey is DBVZEVHSBMEFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-10(19)15-11-3-2-6-16(7-11)14(21)9-17-8-12(18(22)23)4-5-13(17)20/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,19).
What are the key properties of N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide?
N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide has a molecular weight of 322.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 60513578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).