N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide

C29H34N2O3 — CID 24951571

IUPACN-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3ccc4ccc(COCC5CC5)cc4c3)CC2)c1
InChIInChI=1S/C29H34N2O3/c1-33-28-4-2-3-25(17-28)29(32)30-27-11-13-31(14-12-27)18-22-7-9-24-10-8-23(16-26(24)15-22)20-34-19-21-5-6-21/h2-4,7-10,15-17,21,27H,5-6,11-14,18-20H2,1H3,(H,30,32)
InChIKeyBFCOOAAWMRERTJ-UHFFFAOYSA-N
MW458.60 g/mol
LogP5.17
Rot. Bonds9

About N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide

N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 24951571) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID24951571
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC NameN-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3ccc4ccc(COCC5CC5)cc4c3)CC2)c1
InChIInChI=1S/C29H34N2O3/c1-33-28-4-2-3-25(17-28)29(32)30-27-11-13-31(14-12-27)18-22-7-9-24-10-8-23(16-26(24)15-22)20-34-19-21-5-6-21/h2-4,7-10,15-17,21,27H,5-6,11-14,18-20H2,1H3,(H,30,32)
InChIKeyBFCOOAAWMRERTJ-UHFFFAOYSA-N
XLogP5.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
CID 68524871
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 68972696
3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954774
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
CID 68529595
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide
CID 24955133
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695

Frequently Asked Questions

What is the IUPAC name of N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide (CID 24951571) is N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(Cc3ccc4ccc(COCC5CC5)cc4c3)CC2)c1.
What is the InChIKey of N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is BFCOOAAWMRERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-33-28-4-2-3-25(17-28)29(32)30-27-11-13-31(14-12-27)18-22-7-9-24-10-8-23(16-26(24)15-22)20-34-19-21-5-6-21/h2-4,7-10,15-17,21,27H,5-6,11-14,18-20H2,1H3,(H,30,32).
What are the key properties of N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide?
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 458.60 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 24951571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).