N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide

C22H28N5O- — CID 126650510

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.[N-]=[N+]=[N-]
InChIInChI=1S/C22H28N2O.N3/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-3-2/h3-12,21H,2,13-18H2,1H3;/q;-1
InChIKeyPPYHKFQRRZJKFS-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.00
Rot. Bonds6

About N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide (PubChem CID 126650510) has the molecular formula C22H28N5O- and a molecular weight of 378.50 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
PubChem CID126650510
Molecular FormulaC22H28N5O-
Molecular Weight378.50 g/mol
Exact Mass378.23
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.[N-]=[N+]=[N-]
InChIInChI=1S/C22H28N2O.N3/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-3-2/h3-12,21H,2,13-18H2,1H3;/q;-1
InChIKeyPPYHKFQRRZJKFS-UHFFFAOYSA-N
XLogP5.00
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 25110126
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-[1-[2-[4-(methanethioylamino)phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 154953055
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide (CID 126650510) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide is CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.[N-]=[N+]=[N-].
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide?
The InChIKey is PPYHKFQRRZJKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.N3/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-3-2/h3-12,21H,2,13-18H2,1H3;/q;-1.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide has a molecular weight of 378.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide is sourced from PubChem (CID 126650510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).