N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide

C23H32N4O3 — CID 164754517

IUPACN-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide
SMILESCOc1ccc(C(NCCC2CCNCC2)(NC(C)=O)c2ccncc2)cc1OC
InChIInChI=1S/C23H32N4O3/c1-17(28)27-23(19-9-13-25-14-10-19,26-15-8-18-6-11-24-12-7-18)20-4-5-21(29-2)22(16-20)30-3/h4-5,9-10,13-14,16,18,24,26H,6-8,11-12,15H2,1-3H3,(H,27,28)
InChIKeyUKTCTAMJFPIGTE-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.42
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide

N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide (PubChem CID 164754517) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide
PubChem CID164754517
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide
SMILESCOc1ccc(C(NCCC2CCNCC2)(NC(C)=O)c2ccncc2)cc1OC
InChIInChI=1S/C23H32N4O3/c1-17(28)27-23(19-9-13-25-14-10-19,26-15-8-18-6-11-24-12-7-18)20-4-5-21(29-2)22(16-20)30-3/h4-5,9-10,13-14,16,18,24,26H,6-8,11-12,15H2,1-3H3,(H,27,28)
InChIKeyUKTCTAMJFPIGTE-UHFFFAOYSA-N
XLogP2.42
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide (CID 164754517) is N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide is COc1ccc(C(NCCC2CCNCC2)(NC(C)=O)c2ccncc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide?
The InChIKey is UKTCTAMJFPIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17(28)27-23(19-9-13-25-14-10-19,26-15-8-18-6-11-24-12-7-18)20-4-5-21(29-2)22(16-20)30-3/h4-5,9-10,13-14,16,18,24,26H,6-8,11-12,15H2,1-3H3,(H,27,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide?
N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 2.42, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(2-piperidin-4-ylethylamino)-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 164754517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).