2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide

C29H57N3O — CID 57252016

IUPAC2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide
SMILESCCCCCCCCCCCCC(C(=O)NC(C)C)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C29H57N3O/c1-6-7-8-9-10-11-12-13-14-15-20-29(28(33)30-25(2)3,26-16-21-31(4)22-17-26)27-18-23-32(5)24-19-27/h25-27H,6-24H2,1-5H3,(H,30,33)
InChIKeyBQSVAEHXPVXHJQ-UHFFFAOYSA-N
MW463.80 g/mol
LogP6.49
Rot. Bonds15

About 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide

2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide (PubChem CID 57252016) has the molecular formula C29H57N3O and a molecular weight of 463.80 g/mol. Its IUPAC name is 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide.

Molecular Properties

Compound Name2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide
PubChem CID57252016
Molecular FormulaC29H57N3O
Molecular Weight463.80 g/mol
Exact Mass463.45
IUPAC Name2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide
SMILESCCCCCCCCCCCCC(C(=O)NC(C)C)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C29H57N3O/c1-6-7-8-9-10-11-12-13-14-15-20-29(28(33)30-25(2)3,26-16-21-31(4)22-17-26)27-18-23-32(5)24-19-27/h25-27H,6-24H2,1-5H3,(H,30,33)
InChIKeyBQSVAEHXPVXHJQ-UHFFFAOYSA-N
XLogP6.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.80
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide?
The IUPAC name of 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide (CID 57252016) is 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide.
What is the SMILES notation for 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide?
The canonical SMILES for 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide is CCCCCCCCCCCCC(C(=O)NC(C)C)(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide?
The InChIKey is BQSVAEHXPVXHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57N3O/c1-6-7-8-9-10-11-12-13-14-15-20-29(28(33)30-25(2)3,26-16-21-31(4)22-17-26)27-18-23-32(5)24-19-27/h25-27H,6-24H2,1-5H3,(H,30,33).
What are the key properties of 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide?
2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide has a molecular weight of 463.80 g/mol, XLogP of 6.49, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-methylpiperidin-4-yl)-N-propan-2-yltetradecanamide is sourced from PubChem (CID 57252016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).