sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide

C19H30N3NaO3 — CID 173252213

IUPACsodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
SMILESCC(=O)O.O=C(Nc1ccc(C2CCNCC2)cc1)C1CCNCC1.[H-].[Na+]
InChIInChI=1S/C17H25N3O.C2H4O2.Na.H/c21-17(15-7-11-19-12-8-15)20-16-3-1-13(2-4-16)14-5-9-18-10-6-14;1-2(3)4;;/h1-4,14-15,18-19H,5-12H2,(H,20,21);1H3,(H,3,4);;/q;;+1;-1
InChIKeyVSARKWBVDIPPFN-UHFFFAOYSA-N
MW371.46 g/mol
LogP-0.70
Rot. Bonds3

About sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide

sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 173252213) has the molecular formula C19H30N3NaO3 and a molecular weight of 371.46 g/mol. Its IUPAC name is sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Namesodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID173252213
Molecular FormulaC19H30N3NaO3
Molecular Weight371.46 g/mol
Exact Mass371.22
IUPAC Namesodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
SMILESCC(=O)O.O=C(Nc1ccc(C2CCNCC2)cc1)C1CCNCC1.[H-].[Na+]
InChIInChI=1S/C17H25N3O.C2H4O2.Na.H/c21-17(15-7-11-19-12-8-15)20-16-3-1-13(2-4-16)14-5-9-18-10-6-14;1-2(3)4;;/h1-4,14-15,18-19H,5-12H2,(H,20,21);1H3,(H,3,4);;/q;;+1;-1
InChIKeyVSARKWBVDIPPFN-UHFFFAOYSA-N
XLogP-0.70
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 18783777
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
N-(4-methyl-3-piperidin-4-ylphenyl)cyclopropanecarboxamide
CID 86235737
(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 90012477
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119317934

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide (CID 173252213) is sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide is CC(=O)O.O=C(Nc1ccc(C2CCNCC2)cc1)C1CCNCC1.[H-].[Na+].
What is the InChIKey of sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is VSARKWBVDIPPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.C2H4O2.Na.H/c21-17(15-7-11-19-12-8-15)20-16-3-1-13(2-4-16)14-5-9-18-10-6-14;1-2(3)4;;/h1-4,14-15,18-19H,5-12H2,(H,20,21);1H3,(H,3,4);;/q;;+1;-1.
What are the key properties of sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide?
sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of -0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 173252213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).