N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide

C26H29N3O2 — CID 24551039

IUPACN-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc2ccccc2c1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C26H29N3O2/c30-25(18-28-26(31)22-13-12-20-8-2-3-9-21(20)16-22)27-17-23-10-4-5-11-24(23)19-29-14-6-1-7-15-29/h2-5,8-13,16H,1,6-7,14-15,17-19H2,(H,27,30)(H,28,31)
InChIKeyXMYUXDSHEKOXAV-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.87
Rot. Bonds7

About N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide

N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide (PubChem CID 24551039) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
PubChem CID24551039
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc2ccccc2c1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C26H29N3O2/c30-25(18-28-26(31)22-13-12-20-8-2-3-9-21(20)16-22)27-17-23-10-4-5-11-24(23)19-29-14-6-1-7-15-29/h2-5,8-13,16H,1,6-7,14-15,17-19H2,(H,27,30)(H,28,31)
InChIKeyXMYUXDSHEKOXAV-UHFFFAOYSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
3,4,5-trimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 55429146
N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24551426
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834680
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide (CID 24551039) is N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide is O=C(CNC(=O)c1ccc2ccccc2c1)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide?
The InChIKey is XMYUXDSHEKOXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-25(18-28-26(31)22-13-12-20-8-2-3-9-21(20)16-22)27-17-23-10-4-5-11-24(23)19-29-14-6-1-7-15-29/h2-5,8-13,16H,1,6-7,14-15,17-19H2,(H,27,30)(H,28,31).
What are the key properties of N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide?
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24551039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).