N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide

C19H30N3O2P — CID 139063947

IUPACN-bis(4-methylpiperidin-1-yl)phosphorylbenzamide
SMILESCC1CCN(P(=O)(NC(=O)c2ccccc2)N2CCC(C)CC2)CC1
InChIInChI=1S/C19H30N3O2P/c1-16-8-12-21(13-9-16)25(24,22-14-10-17(2)11-15-22)20-19(23)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,20,23,24)
InChIKeyCALGPZVCQYZKLL-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.99
Rot. Bonds4

About N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide

N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide (PubChem CID 139063947) has the molecular formula C19H30N3O2P and a molecular weight of 363.44 g/mol. Its IUPAC name is N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide.

Molecular Properties

Compound NameN-bis(4-methylpiperidin-1-yl)phosphorylbenzamide
PubChem CID139063947
Molecular FormulaC19H30N3O2P
Molecular Weight363.44 g/mol
Exact Mass363.21
IUPAC NameN-bis(4-methylpiperidin-1-yl)phosphorylbenzamide
SMILESCC1CCN(P(=O)(NC(=O)c2ccccc2)N2CCC(C)CC2)CC1
InChIInChI=1S/C19H30N3O2P/c1-16-8-12-21(13-9-16)25(24,22-14-10-17(2)11-15-22)20-19(23)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,20,23,24)
InChIKeyCALGPZVCQYZKLL-UHFFFAOYSA-N
XLogP3.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
benzoic acid;methylcyclopentane
CID 68907828
N-dichlorophosphorylbenzamide
CID 4737335
N-[3-(4-methylpiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 680553
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
CID 24540035
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
CID 122299598

Frequently Asked Questions

What is the IUPAC name of N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide?
The IUPAC name of N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide (CID 139063947) is N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide.
What is the SMILES notation for N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide?
The canonical SMILES for N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide is CC1CCN(P(=O)(NC(=O)c2ccccc2)N2CCC(C)CC2)CC1.
What is the InChIKey of N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide?
The InChIKey is CALGPZVCQYZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N3O2P/c1-16-8-12-21(13-9-16)25(24,22-14-10-17(2)11-15-22)20-19(23)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,20,23,24).
What are the key properties of N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide?
N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide has a molecular weight of 363.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-methylpiperidin-1-yl)phosphorylbenzamide is sourced from PubChem (CID 139063947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).