N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide

C16H24N4O2 — CID 174493993

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2ccncc2)CC1)C(=O)N(C)C
InChIInChI=1S/C16H24N4O2/c1-12(16(22)19(2)3)18-15(21)13-6-10-20(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,18,21)
InChIKeyBLMVNNPFIPENED-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.89
Rot. Bonds4

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 174493993) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID174493993
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2ccncc2)CC1)C(=O)N(C)C
InChIInChI=1S/C16H24N4O2/c1-12(16(22)19(2)3)18-15(21)13-6-10-20(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,18,21)
InChIKeyBLMVNNPFIPENED-UHFFFAOYSA-N
XLogP0.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 174493993) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(c2ccncc2)CC1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is BLMVNNPFIPENED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(16(22)19(2)3)18-15(21)13-6-10-20(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 174493993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).