1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide

C18H27N4O3P — CID 102136301

IUPAC1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(P(=O)(c2ccccc2)N2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C18H27N4O3P/c19-17(23)14-6-10-21(11-7-14)26(25,16-4-2-1-3-5-16)22-12-8-15(9-13-22)18(20)24/h1-5,14-15H,6-13H2,(H2,19,23)(H2,20,24)
InChIKeyZNDBQSDZNIOYRP-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.90
Rot. Bonds5

About 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide

1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide (PubChem CID 102136301) has the molecular formula C18H27N4O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide
PubChem CID102136301
Molecular FormulaC18H27N4O3P
Molecular Weight378.41 g/mol
Exact Mass378.18
IUPAC Name1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(P(=O)(c2ccccc2)N2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C18H27N4O3P/c19-17(23)14-6-10-21(11-7-14)26(25,16-4-2-1-3-5-16)22-12-8-15(9-13-22)18(20)24/h1-5,14-15H,6-13H2,(H2,19,23)(H2,20,24)
InChIKeyZNDBQSDZNIOYRP-UHFFFAOYSA-N
XLogP0.90
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide
CID 174454085
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358
1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 45001400
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
aniline;cyclobutanecarboxamide
CID 145209318
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide (CID 102136301) is 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide is NC(=O)C1CCN(P(=O)(c2ccccc2)N2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide?
The InChIKey is ZNDBQSDZNIOYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N4O3P/c19-17(23)14-6-10-21(11-7-14)26(25,16-4-2-1-3-5-16)22-12-8-15(9-13-22)18(20)24/h1-5,14-15H,6-13H2,(H2,19,23)(H2,20,24).
What are the key properties of 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide?
1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamoylpiperidin-1-yl)-phenylphosphoryl]piperidine-4-carboxamide is sourced from PubChem (CID 102136301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).