N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C21H31N3O3 — CID 113008099

IUPACN-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-3-23(4-2)18-9-7-17(8-10-18)22-20(25)16-11-13-24(14-12-16)21(26)19-6-5-15-27-19/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,22,25)
InChIKeyBIKUGUMGDPEIIV-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.89
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 113008099) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID113008099
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-3-23(4-2)18-9-7-17(8-10-18)22-20(25)16-11-13-24(14-12-16)21(26)19-6-5-15-27-19/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,22,25)
InChIKeyBIKUGUMGDPEIIV-UHFFFAOYSA-N
XLogP2.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008613
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 113008099) is N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is BIKUGUMGDPEIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-23(4-2)18-9-7-17(8-10-18)22-20(25)16-11-13-24(14-12-16)21(26)19-6-5-15-27-19/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).