1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide

C17H25N3O3 — CID 51096030

IUPAC1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(OCC(C)NC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-12-3-5-15(6-4-12)23-11-13(2)19-17(22)20-9-7-14(8-10-20)16(18)21/h3-6,13-14H,7-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyCKBLTCULKIIKFO-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.67
Rot. Bonds5

About 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide

1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 51096030) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
PubChem CID51096030
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(OCC(C)NC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-12-3-5-15(6-4-12)23-11-13(2)19-17(22)20-9-7-14(8-10-20)16(18)21/h3-6,13-14H,7-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyCKBLTCULKIIKFO-UHFFFAOYSA-N
XLogP1.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 75441282
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95157805
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
1-[(4-chlorophenyl)methyl]-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013561
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013550
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 61168104

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide (CID 51096030) is 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide is Cc1ccc(OCC(C)NC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is CKBLTCULKIIKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-3-5-15(6-4-12)23-11-13(2)19-17(22)20-9-7-14(8-10-20)16(18)21/h3-6,13-14H,7-11H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 51096030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).