2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide

C25H29N3O — CID 156907148

IUPAC2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide
SMILESCc1ccc(NC2CCNCC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H29N3O/c1-17-10-11-21(28-20-12-14-26-15-13-20)16-24(17)25(29)27-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,26,28H,12-15H2,1-2H3,(H,27,29)/t18-/m1/s1
InChIKeyUTDZHTFBLCBKHG-GOSISDBHSA-N
MW387.53 g/mol
LogP4.80
Rot. Bonds5

About 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide

2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide (PubChem CID 156907148) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide
PubChem CID156907148
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide
SMILESCc1ccc(NC2CCNCC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H29N3O/c1-17-10-11-21(28-20-12-14-26-15-13-20)16-24(17)25(29)27-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,26,28H,12-15H2,1-2H3,(H,27,29)/t18-/m1/s1
InChIKeyUTDZHTFBLCBKHG-GOSISDBHSA-N
XLogP4.80
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide?
The IUPAC name of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide (CID 156907148) is 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide is Cc1ccc(NC2CCNCC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide?
The InChIKey is UTDZHTFBLCBKHG-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-10-11-21(28-20-12-14-26-15-13-20)16-24(17)25(29)27-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,26,28H,12-15H2,1-2H3,(H,27,29)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide?
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide has a molecular weight of 387.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(piperidin-4-ylamino)benzamide is sourced from PubChem (CID 156907148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).