1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide

C23H30N4O3 — CID 86899493

IUPAC1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cn1
InChIInChI=1S/C23H30N4O3/c1-3-13-30-21-8-7-18(15-24-21)16-25-22(28)19-9-11-27(12-10-19)23(29)26-20-6-4-5-17(2)14-20/h4-8,14-15,19H,3,9-13,16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQHAOHABUFCMFQN-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.74
Rot. Bonds7

About 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide

1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 86899493) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID86899493
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cn1
InChIInChI=1S/C23H30N4O3/c1-3-13-30-21-8-7-18(15-24-21)16-25-22(28)19-9-11-27(12-10-19)23(29)26-20-6-4-5-17(2)14-20/h4-8,14-15,19H,3,9-13,16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQHAOHABUFCMFQN-UHFFFAOYSA-N
XLogP3.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
CID 86947008
1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 47062766
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55744255
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120636109
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
CID 55878430
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 95760901

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide (CID 86899493) is 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide is CCCOc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cn1.
What is the InChIKey of 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is QHAOHABUFCMFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-13-30-21-8-7-18(15-24-21)16-25-22(28)19-9-11-27(12-10-19)23(29)26-20-6-4-5-17(2)14-20/h4-8,14-15,19H,3,9-13,16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86899493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).